Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T35734 | Target Info | |||
| Target Name | Soluble epoxide hydrolase (EPHX2) | ||||
| Synonyms | Bifunctional epoxide hydrolase 2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | EPHX2 | ||||
| Biochemical Class | Ether bond hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 4-(3-cyclohexylureido)butanoic acid | Ligand Info | |||||
| Structure Description | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-butyric acid complex | PDB:1ZD3 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS229 CNPSDMSHGY239 VTVKPRVRLH249 FVELGSGPAV 259 CLCHGFPESW269 YSWRYQIPAL279 AQAGYRVLAM289 DMKGYGESSA299 PPEIEEYCME 309 VLCKEMVTFL319 DKLGLSQAVF329 IGHDWGGMLV339 WYMALFYPER349 VRAVASLNTP 359 FIPANPNMSP369 LESIKANPVF379 DYQLYFQEPG389 VAEAELEQNL399 SRTFKSLFRA 409 SDESVLSMHK420 VCEAGGLFVN430 SPEEPSLSRM440 VTEEEIQFYV450 QQFKKSGFRG 460 PLNWYRNMER470 NWKWACKSLG480 RKILIPALMV490 TAEKDFVLVP500 QMSQHMEDWI 510 PHLKRGHIED520 CGHWTQMDKP530 TEVNQILIKW540 LDSDARN
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| Ligand Name: N-Cyclohexyl-N'-(4-Iodophenyl)Urea | Ligand Info | |||||
| Structure Description | Human soluble Epoxide Hydrolase- N-cyclohexyl-N'-(4-iodophenyl)urea complex | PDB:1VJ5 | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [2] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS229 CNPSDMSHGY239 VTVKPRVRLH249 FVELGSGPAV 259 CLCHGFPESW269 YSWRYQIPAL279 AQAGYRVLAM289 DMKGYGESSA299 PPEIEEYCME 309 VLCKEMVTFL319 DKLGLSQAVF329 IGHDWGGMLV339 WYMALFYPER349 VRAVASLNTP 359 FIPANPNMSP369 LESIKANPVF379 DYQLYFQEPG389 VAEAELEQNL399 SRTFKSLFRA 409 SDESVLSMHK420 VCEAGGLFVN430 SPEEPSLSRM440 VTEEEIQFYV450 QQFKKSGFRG 460 PLNWYRNMER470 NWKWACKSLG480 RKILIPALMV490 TAEKDFVLVP500 QMSQHMEDWI 510 PHLKRGHIED520 CGHWTQMDKP530 TEVNQILIKW540 LDSDARN
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| Ligand Name: N-(3,3-diphenyl-propyl)-nicotinamide | Ligand Info | |||||
| Structure Description | Crystal Structure of soluble epoxide Hydrolase | PDB:3I1Y | ||||
| Method | X-ray diffraction | Resolution | 2.47 Å | Mutation | No | [3] |
| PDB Sequence |
RAAVFDLDGV
13 LALPAVFGVL23 GRTEEALALP33 RGLLNDAFQK43 GGPEGATTRL53 MKGEITLSQW 63 IPLMEENCRK73 CSETAKVCLP83 KNFSIKEIFD93 KAISARKINR103 PMLQAALMLR 113 KKGFTTAILT123 NTWLDDRAER133 DGLAQLMCEL143 KMHFDFLIES153 CQVGMVKPEP 163 QIYKFLLDTL173 KASPSEVVFL183 DDIGANLKPA193 RDLGMVTILV203 QDTDTALKEL 213 EKVTGIQLLN223 TPAPLPTSCN233 PSDMSHGYVT243 VKPRVRLHFV253 ELGSGPAVCL 263 CHGFPESWYS273 WRYQIPALAQ283 AGYRVLAMDM293 KGYGESSAPP303 EIEEYCMEVL 313 CKEMVTFLDK323 LGLSQAVFIG333 HDWGGMLVWY343 MALFYPERVR353 AVASLNTPFI 363 PANPNMSPLE373 SIKANPVFDY383 QLYFQEPGVA393 EAELEQNLSR403 TFKSLFRASD 413 ESVLSMHKVC423 EAGGLFVNSP433 EEPSLSRMVT443 EEEIQFYVQQ453 FKKSGFRGPL 463 NWYRNMERNW473 KWACKSLGRK483 ILIPALMVTA493 EKDFVLVPQM503 SQHMEDWIPH 513 LKRGHIEDCG523 HWTQMDKPTE533 VNQILIKWLD543 SDARN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .33N or .33N2 or .33N3 or :333N;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:496 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID | Ligand Info | |||||
| Structure Description | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-hexanoic acid complex | PDB:1ZD4 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS229 CNPSDMSHGY239 VTVKPRVRLH249 FVELGSGPAV 259 CLCHGFPESW269 YSWRYQIPAL279 AQAGYRVLAM289 DMKGYGESSA299 PPEIEEYCME 309 VLCKEMVTFL319 DKLGLSQAVF329 IGHDWGGMLV339 WYMALFYPER349 VRAVASLNTP 359 FIPANPNMSP369 LESIKANPVF379 DYQLYFQEPG389 VAEAELEQNL399 SRTFKSLFRA 409 SDESVLSMHK420 VCEAGGLFVN430 SPEEPSLSRM440 VTEEEIQFYV450 QQFKKSGFRG 460 PLNWYRNMER470 NWKWACKSLG480 RKILIPALMV490 TAEKDFVLVP500 QMSQHMEDWI 510 PHLKRGHIED520 CGHWTQMDKP530 TEVNQILIKW540 LDSDARN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NC6 or .NC62 or .NC63 or :3NC6;style chemicals stick;color identity;select .A:265 or .A:333 or .A:334 or .A:337 or .A:379 or .A:381 or .A:382 or .A:413 or .A:416 or .A:418 or .A:465 or .A:497 or .A:498 or .A:523 or .A:524; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE | Ligand Info | |||||
| Structure Description | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-ethanoic acid complex | PDB:1ZD2 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS229 CNPSDMSHGY239 VTVKPRVRLH249 FVELGSGPAV 259 CLCHGFPESW269 YSWRYQIPAL279 AQAGYRVLAM289 DMKGYGESSA299 PPEIEEYCME 309 VLCKEMVTFL319 DKLGLSQAVF329 IGHDWGGMLV339 WYMALFYPER349 VRAVASLNTP 359 FIPANPNMSP369 LESIKANPVF379 DYQLYFQEPG389 VAEAELEQNL399 SRTFKSLFRA 409 SDESVLSMHK420 VCEAGGLFVN430 SPEEPSLSRM440 VTEEEIQFYV450 QQFKKSGFRG 460 PLNWYRNMER470 NWKWACKSLG480 RKILIPALMV490 TAEKDFVLVP500 QMSQHMEDWI 510 PHLKRGHIED520 CGHWTQMDKP530 TEVNQILIKW540 LDSDARN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NC3 or .NC32 or .NC33 or :3NC3;style chemicals stick;color identity;select .P:265 or .P:266 or .P:333 or .P:334 or .P:337 or .P:358 or .P:379 or .P:381 or .P:382 or .P:406 or .P:418 or .P:465 or .P:497 or .P:498 or .P:523 or .P:524; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-iodo-1H-indazole | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AKX | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8NY or .8NY2 or .8NY3 or :38NY;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:419 or .A:466 or .A:496 or .A:497 or .A:498 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,3-diphenylurea | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AI5 | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDARN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BSU or .BSU2 or .BSU3 or :3BSU;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:381 or .A:383 or .A:384 or .A:408 or .A:419 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Kurarinone | Ligand Info | |||||
| Structure Description | Co-crystal of kurarinone with sEH | PDB:7EBA | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [5] |
| PDB Sequence |
SCNPSDMSHG
240 YVTVKPRVRL250 HFVELGSGPA260 VCLCHGFPES270 WYSWRYQIPA280 LAQAGYRVLA 290 MDMKGYGESS300 APPEIEEYCM310 EVLCKEMVTF320 LDKLGLSQAV330 FIGHDWGGML 340 VWYMALFYPE350 RVRAVASLNT360 PFIPANPNMS370 PLESIKANPV380 FDYQLYFQEP 390 GVAEAELEQN400 LSRTFKSLFR410 ASDESVLSMH420 KVCEAGGLFV430 NSPEEPSLSR 440 MVTEEEIQFY450 VQQFKKSGFR460 GPLNWYRNME470 RNWKWACKSL480 GRKILIPALM 490 VTAEKDFVLV500 PQMSQHMEDW510 IPHLKRGHIE520 DCGHWTQMDK530 PTEVNQILIK 540 WLDSDA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J0U or .J0U2 or .J0U3 or :3J0U;style chemicals stick;color identity;select .A:335 or .A:336 or .A:339 or .A:343 or .A:360 or .A:361 or .A:363 or .A:364 or .A:365 or .A:375 or .A:381 or .A:383 or .A:384 or .A:388 or .A:465 or .A:466 or .A:467 or .A:468 or .A:469 or .A:472 or .A:473 or .A:476 or .A:499 or .A:503; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASP335
3.493
TRP336
3.267
MET339
3.128
TYR343
3.216
THR360
3.667
PRO361
3.617
ILE363
2.492
PRO364
3.444
ALA365
3.229
ILE375
3.945
PHE381
3.430
TYR383
4.315
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| Ligand Name: 4-Cyano-N-{(3s)-3-(4-Fluorophenyl)-3-[4-(Methylsulfonyl)phenyl]propyl}benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of soluble epoxide Hydrolase | PDB:3I28 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [3] |
| PDB Sequence |
RAAVFDLDGV
13 LALPAVFGVL23 GRTEEALALP33 RGLLNDAFQK43 GGPEGATTRL53 MKGEITLSQW 63 IPLMEENCRK73 CSETAKVCLP83 KNFSIKEIFD93 KAISARKINR103 PMLQAALMLR 113 KKGFTTAILT123 NTWLDDRAER133 DGLAQLMCEL143 KMHFDFLIES153 CQVGMVKPEP 163 QIYKFLLDTL173 KASPSEVVFL183 DDIGANLKPA193 RDLGMVTILV203 QDTDTALKEL 213 EKVTGIQLLN223 TPAPLPTSCN233 PSDMSHGYVT243 VKPRVRLHFV253 ELGSGPAVCL 263 CHGFPESWYS273 WRYQIPALAQ283 AGYRVLAMDM293 KGYGESSAPP303 EIEEYCMEVL 313 CKEMVTFLDK323 LGLSQAVFIG333 HDWGGMLVWY343 MALFYPERVR353 AVASLNTPFI 363 PANPNMSPLE373 SIKANPVFDY383 QLYFQEPGVA393 EAELEQNLSR403 TFKSLFRASD 413 ESVLSMHKVC423 EAGGLFVNSP433 EEPSLSRMVT443 EEEIQFYVQQ453 FKKSGFRGPL 463 NWYRNMERNW473 KWACKSLGRK483 ILIPALMVTA493 EKDFVLVPQM503 SQHMEDWIPH 513 LKRGHIEDCG523 HWTQMDKPTE533 VNQILIKWLD543 SDARN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .34N or .34N2 or .34N3 or :334N;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:384 or .A:387 or .A:397 or .A:408 or .A:410 or .A:415 or .A:417 or .A:419 or .A:428 or .A:466 or .A:495 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE267
3.672
PRO268
4.174
ASP335
2.539
TRP336
3.525
MET339
2.891
THR360
4.064
TYR383
2.616
GLN384
3.709
PHE387
3.404
LEU397
4.743
LEU408
3.548
ARG410
4.966
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| Ligand Name: N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human soluble epoxide hydrolase complexed with N-cycloheptyl-1-(mesitylsulfonyl)piperidine-4-carboxamide. | PDB:4HAI | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [6] |
| PDB Sequence |
MTLRAAVFDL
10 DGVLALPAVF20 GVLGRTEEAL30 ALPRGLLNDA40 FQKGGPEGAT50 TRLMKGEITL 60 SQWIPLMEEN70 CRKCSETAKV80 CLPKNFSIKE90 IFDKAISARK100 INRPMLQAAL 110 MLRKKGFTTA120 ILTNTWLDDR130 AERDGLAQLM140 CELKMHFDFL150 IESCQVGMVK 160 PEPQIYKFLL170 DTLKASPSEV180 VFLDDIGANL190 KPARDLGMVT200 ILVQDTDTAL 210 KELEKVTGIQ220 LLNTPAPLPT230 SCNPSDMSHG240 YVTVKPRVRL250 HFVELGSGPA 260 VCLCHGFPES270 WYSWRYQIPA280 LAQAGYRVLA290 MDMKGYGESS300 APPEIEEYCM 310 EVLCKEMVTF320 LDKLGLSQAV330 FIGHDWGGML340 VWYMALFYPE350 RVRAVASLNT 360 PFIPANPNMS370 PLESIKANPV380 FDYQLYFQEP390 GVAEAELEQN400 LSRTFKSLFR 410 ASDESVLSMH420 KVCEAGGLFV430 NSPEEPSLSR440 MVTEEEIQFY450 VQQFKKSGFR 460 GPLNWYRNME470 RNWKWACKSL480 GRKILIPALM490 VTAEKDFVLV500 PQMSQHMEDW 510 IPHLKRGHIE520 DCGHWTQMDK530 PTEVNQILIK540 WLDSDARN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I23 or .I232 or .I233 or :3I23;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:415 or .A:417 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE267
3.708
PRO268
4.910
ASP335
2.990
TRP336
3.749
MET339
4.352
THR360
4.236
PHE381
3.880
TYR383
2.963
GLN384
3.161
PHE387
4.960
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| Ligand Name: 7-{[(Cyclohexylamino)carbonyl]amino}heptanoic acid | Ligand Info | |||||
| Structure Description | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-heptanoic acid complex | PDB:1ZD5 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS229 CNPSDMSHGY239 VTVKPRVRLH249 FVELGSGPAV 259 CLCHGFPESW269 YSWRYQIPAL279 AQAGYRVLAM289 DMKGYGESSA299 PPEIEEYCME 309 VLCKEMVTFL319 DKLGLSQAVF329 IGHDWGGMLV339 WYMALFYPER349 VRAVASLNTP 359 FIPANPNMSP369 LESIKANPVF379 DYQLYFQEPG389 VAEAELEQNL399 SRTFKSLFRA 409 SDESVLSMHK420 VCEAGGLFVN430 SPEEPSLSRM440 VTEEEIQFYV450 QQFKKSGFRG 460 PLNWYRNMER470 NWKWACKSLG480 RKILIPALMV490 TAEKDFVLVP500 QMSQHMEDWI 510 PHLKRGHIED520 CGHWTQMDKP530 TEVNQILIKW540 LDSDARN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NC7 or .NC72 or .NC73 or :3NC7;style chemicals stick;color identity;select .A:265 or .A:266 or .A:333 or .A:334 or .A:373 or .A:379 or .A:381 or .A:382 or .A:385 or .A:406 or .A:418 or .A:465 or .A:497 or .A:498 or .A:502 or .A:523 or .A:524; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of soluble epoxide Hydrolase | PDB:3KOO | ||||
| Method | X-ray diffraction | Resolution | 2.79 Å | Mutation | No | [7] |
| PDB Sequence |
RAAVFDLDGV
13 LALPAVFGVL23 GRTEEALALP33 RGLLNDAFQK43 GGPEGATTRL53 MKGEITLSQW 63 IPLMEENCRK73 CSETAKVCLP83 KNFSIKEIFD93 KAISARKINR103 PMLQAALMLR 113 KKGFTTAILT123 NTWLDDRAER133 DGLAQLMCEL143 KMHFDFLIES153 CQVGMVKPEP 163 QIYKFLLDTL173 KASPSEVVFL183 DDIGANLKPA193 RDLGMVTILV203 QDTDTALKEL 213 EKVTGIQLLN223 TPAPLPTSCN233 PSDMSHGYVT243 VKPRVRLHFV253 ELGSGPAVCL 263 CHGFPESWYS273 WRYQIPALAQ283 AGYRVLAMDM293 KGYGESSAPP303 EIEEYCMEVL 313 CKEMVTFLDK323 LGLSQAVFIG333 HDWGGMLVWY343 MALFYPERVR353 AVASLNTPFI 363 PANPNMSPLE373 SIKANPVFDY383 QLYFQEPGVA393 EAELEQNLSR403 TFKSLFRASD 413 ESVLSMHKVC423 EAGGLFVNSP433 EEPSLSRMVT443 EEEIQFYVQQ453 FKKSGFRGPL 463 NWYRNMERNW473 KWACKSLGRK483 ILIPALMVTA493 EKDFVLVPQM503 SQHMEDWIPH 513 LKRGHIEDCG523 HWTQMDKPTE533 VNQILIKWLD543 SDARN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .24D or .24D2 or .24D3 or :324D;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:363 or .A:381 or .A:383 or .A:384 or .A:419 or .A:466 or .A:496 or .A:497 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE267
3.535
PRO268
4.659
ASP335
2.430
TRP336
3.816
MET339
3.233
THR360
4.257
PRO361
3.782
ILE363
3.748
PHE381
3.967
TYR383
2.865
|
|||||
| Ligand Name: (7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-Triene-3,17-Diol | Ligand Info | |||||
| Structure Description | Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant | PDB:4J03 | ||||
| Method | X-ray diffraction | Resolution | 2.92 Å | Mutation | No | [8] |
| PDB Sequence |
MTLRAAVFDL
10 DGVLALPAVF20 GVLGRTEEAL30 ALPRGLLNDA40 FQKGGPEGAT50 TRLMKGEITL 60 SQWIPLMEEN70 CRKCSETAKV80 CLPKNFSIKE90 IFDKAISARK100 INRPMLQAAL 110 MLRKKGFTTA120 ILTNTWLDDR130 AERDGLAQLM140 CELKMHFDFL150 IESCQVGMVK 160 PEPQIYKFLL170 DTLKASPSEV180 VFLDDIGANL190 KPARDLGMVT200 ILVQDTDTAL 210 KELEKVTGIQ220 LLNTPAPLPT230 SCNPSDMSHG240 YVTVKPRVRL250 HFVELGSGPA 260 VCLCHGFPES270 WYSWRYQIPA280 LAQAGYRVLA290 MDMKGYGESS300 APPEIEEYCM 310 EVLCKEMVTF320 LDKLGLSQAV330 FIGHDWGGML340 VWYMALFYPE350 RVRAVASLNT 360 PFIPANPNMS370 PLESIKANPV380 FDYQLYFQEP390 GVAEAELEQN400 LSRTFKSLFR 410 ASDESVLSMH420 KVCEAGGLFV430 NSPEEPSLSR440 MVTEEEIQFY450 VQQFKKSGFR 460 GPLNWYRNME470 RNWKWACKSL480 GRKILIPALM490 VTAEKDFVLV500 PQMSQHMEDW 510 IPHLKRGHIE520 DCGHWTQMDK530 PTEVNQILIK540 WLDSDARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FVS or .FVS2 or .FVS3 or :3FVS;style chemicals stick;color identity;select .A:267 or .A:268 or .A:310 or .A:335 or .A:336 or .A:339 or .A:343 or .A:360 or .A:363 or .A:364 or .A:365 or .A:366 or .A:371 or .A:374 or .A:375 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:428 or .A:466 or .A:469 or .A:472 or .A:473 or .A:476 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.753
PRO268
4.019
MET310
4.643
ASP335
2.853
TRP336
3.748
MET339
4.569
TYR343
3.296
THR360
4.220
ILE363
3.446
PRO364
4.019
ALA365
4.269
ASN366
4.599
PRO371
4.160
SER374
3.832
ILE375
4.180
PHE381
3.671
|
|||||
| Ligand Name: 1-(1-Propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea | Ligand Info | |||||
| Structure Description | Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea | PDB:4OD0 | ||||
| Method | X-ray diffraction | Resolution | 2.92 Å | Mutation | No | [9] |
| PDB Sequence |
MTLRAAVFDL
10 DGVLALPAVF20 GVLGRTEEAL30 ALPRGLLNDA40 FQKGGPEGAT50 TRLMKGEITL 60 SQWIPLMEEN70 CRKCSETAKV80 CLPKNFSIKE90 IFDKAISARK100 INRPMLQAAL 110 MLRKKGFTTA120 ILTNTWLDDR130 AERDGLAQLM140 CELKMHFDFL150 IESCQVGMVK 160 PEPQIYKFLL170 DTLKASPSEV180 VFLDDIGANL190 KPARDLGMVT200 ILVQDTDTAL 210 KELEKVTGIQ220 LLNTPAPLPT230 SCNPSDMSHG240 YVTVKPRVRL250 HFVELGSGPA 260 VCLCHGFPES270 WYSWRYQIPA280 LAQAGYRVLA290 MDMKGYGESS300 APPEIEEYCM 310 EVLCKEMVTF320 LDKLGLSQAV330 FIGHDWGGML340 VWYMALFYPE350 RVRAVASLNT 360 PFIPANPNMS370 PLESIKANPV380 FDYQLYFQEP390 GVAEAELEQN400 LSRTFKSLFR 410 ASDESVLSMH420 KVCEAGGLFV430 NSPEEPSLSR440 MVTEEEIQFY450 VQQFKKSGFR 460 GPLNWYRNME470 RNWKWACKSL480 GRKILIPALM490 VTAEKDFVLV500 PQMSQHMEDW 510 IPHLKRGHIE520 DCGHWTQMDK530 PTEVNQILIK540 WLDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2RV or .2RV2 or .2RV3 or :32RV;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:363 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.429
PRO268
4.433
ASP335
2.458
TRP336
3.751
MET339
3.376
THR360
3.870
PRO361
4.702
ILE363
4.046
PHE381
4.289
TYR383
2.428
GLN384
3.697
|
|||||
| Ligand Name: 1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea | Ligand Info | |||||
| Structure Description | Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea | PDB:4OCZ | ||||
| Method | X-ray diffraction | Resolution | 2.94 Å | Mutation | No | [9] |
| PDB Sequence |
MTLRAAVFDL
10 DGVLALPAVF20 GVLGRTEEAL30 ALPRGLLNDA40 FQKGGPEGAT50 TRLMKGEITL 60 SQWIPLMEEN70 CRKCSETAKV80 CLPKNFSIKE90 IFDKAISARK100 INRPMLQAAL 110 MLRKKGFTTA120 ILTNTWLDDR130 AERDGLAQLM140 CELKMHFDFL150 IESCQVGMVK 160 PEPQIYKFLL170 DTLKASPSEV180 VFLDDIGANL190 KPARDLGMVT200 ILVQDTDTAL 210 KELEKVTGIQ220 LLNTPAPLPT230 SCNPSDMSHG240 YVTVKPRVRL250 HFVELGSGPA 260 VCLCHGFPES270 WYSWRYQIPA280 LAQAGYRVLA290 MDMKGYGESS300 APPEIEEYCM 310 EVLCKEMVTF320 LDKLGLSQAV330 FIGHDWGGML340 VWYMALFYPE350 RVRAVASLNT 360 PFIPANPNMS370 PLESIKANPV380 FDYQLYFQEP390 GVAEAELEQN400 LSRTFKSLFR 410 ASDESVLSMH420 KVCEAGGLFV430 NSPEEPSLSR440 MVTEEEIQFY450 VQQFKKSGFR 460 GPLNWYRNME470 RNWKWACKSL480 GRKILIPALM490 VTAEKDFVLV500 PQMSQHMEDW 510 IPHLKRGHIE520 DCGHWTQMDK530 PTEVNQILIK540 WLDSDARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2RU or .2RU2 or .2RU3 or :32RU;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:363 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:417 or .A:428 or .A:466 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.653
PRO268
4.289
ASP335
2.601
TRP336
3.683
MET339
3.467
THR360
3.450
PRO361
4.162
ILE363
3.736
PHE381
4.268
TYR383
2.422
GLN384
4.127
|
|||||
| Ligand Name: t-TUCB | Ligand Info | |||||
| Structure Description | Crystal structure of human soluble epoxide hydrolase complexed with trans-4-[4-(3-trifluoromethoxyphenyl-l-ureido)-cyclohexyloxy]-benzoic acid. | PDB:6AUM | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [10] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BXV or .BXV2 or .BXV3 or :3BXV;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:363 or .A:371 or .A:374 or .A:375 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:469 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.372
PRO268
4.297
ASP335
2.607
TRP336
3.627
MET339
3.369
THR360
3.973
ILE363
3.776
PRO371
4.475
SER374
3.377
ILE375
3.673
PHE381
3.942
TYR383
2.187
GLN384
3.639
|
|||||
| Ligand Name: N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide | Ligand Info | |||||
| Structure Description | Soluble Epoxide Hydrolase in complex with pyrazole antagonist | PDB:3OTQ | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [11] |
| PDB Sequence |
RAAVFDLDGV
13 LALPAVFGVL23 GRTEEALALP33 RGLLNDAFQK43 GGPEGATTRL53 MKGEITLSQW 63 IPLMEENCRK73 CSETAKVCLP83 KNFSIKEIFD93 KAISARKINR103 PMLQAALMLR 113 KKGFTTAILT123 NTWLDDRAER133 DGLAQLMCEL143 KMHFDFLIES153 CQVGMVKPEP 163 QIYKFLLDTL173 KASPSEVVFL183 DDIGANLKPA193 RDLGMVTILV203 QDTDTALKEL 213 EKVTGIQLLN223 TPAPLPTSCN233 PSDMSHGYVT243 VKPRVRLHFV253 ELGSGPAVCL 263 CHGFPESWYS273 WRYQIPALAQ283 AGYRVLAMDM293 KGYGESSAPP303 EIEEYCMEVL 313 CKEMVTFLDK323 LGLSQAVFIG333 HDWGGMLVWY343 MALFYPERVR353 AVASLNTPFI 363 PANPNMSPLE373 SIKANPVFDY383 QLYFQEPGVA393 EAELEQNLSR403 TFKSLFRASD 413 ESVLSMHKVC423 EAGGLFVNSP433 EEPSLSRMVT443 EEEIQFYVQQ453 FKKSGFRGPL 463 NWYRNMERNW473 KWACKSLGRK483 ILIPALMVTA493 EKDFVLVPQM503 SQHMEDWIPH 513 LKRGHIEDCG523 HWTQMDKPTE533 VNQILIKWLD543 SDARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MZL or .MZL2 or .MZL3 or :3MZL;style chemicals stick;color identity;select .A:267 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:384 or .A:387 or .A:407 or .A:408 or .A:410 or .A:411 or .A:415 or .A:416 or .A:417 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.650
ASP335
2.999
TRP336
3.582
MET339
3.679
THR360
4.035
TYR383
2.635
GLN384
4.324
PHE387
4.701
SER407
3.279
LEU408
3.280
ARG410
3.260
|
|||||
| Ligand Name: 7-methylisoquinolin-1(2H)-one | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AM2 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVF86 SIKEIFDKAI96 SARKINRPML106 QAALMLRKKG 116 FTTAILTNTW126 LDDRAERDGL136 AQLMCELKMH146 FDFLIESCQV156 GMVKPEPQIY 166 KFLLDTLKAS176 PSEVVFLDDI186 GANLKPARDL196 GMVTILVQDT206 DTALKELEKV 216 TGIQLLNTPA226 PLPTSCNPSD236 MSHGYVTVKP246 RVRLHFVELG256 SGPAVCLCHG 266 FPESWYSWRY276 QIPALAQAGY286 RVLAMDMKGY296 GESSAPPEIE306 EYCMEVLCKE 316 MVTFLDKLGL326 SQAVFIGHDW336 GGMLVWYMAL346 FYPERVRAVA356 SLNTPFIPAN 366 PNMSPLESIK376 ANPVFDYQLY386 FQEPGVAEAE396 LEQNLSRTFK406 SLFRASDESV 416 LVCEAGGLFV430 NSPEEPSLSR440 MVTEEEIQFY450 VQQFKKSGFR460 GPLNWYRNME 470 RNWKWACKSL480 GRKILIPALM490 VTAEKDFVLV500 PQMSQHMEDW510 IPHLKRGHIE 520 DCGHWTQMDK530 PTEVNQILIK540 WLDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KUF or .KUF2 or .KUF3 or :3KUF;style chemicals stick;color identity;select .A:267 or .A:268 or .A:310 or .A:335 or .A:336 or .A:339 or .A:343 or .A:363 or .A:364 or .A:366 or .A:371 or .A:374 or .A:375 or .A:378 or .A:381 or .A:383 or .A:384 or .A:387 or .A:397 or .A:408 or .A:410 or .A:417 or .A:428 or .A:465 or .A:466 or .A:468 or .A:469 or .A:472 or .A:473 or .A:476 or .A:495 or .A:496 or .A:497 or .A:498 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.388
PRO268
4.759
MET310
4.968
ASP335
4.331
TRP336
3.512
MET339
3.724
TYR343
3.468
ILE363
3.676
PRO364
4.464
ASN366
4.809
PRO371
3.569
SER374
3.299
ILE375
4.801
ASN378
4.341
PHE381
3.725
TYR383
3.257
GLN384
4.164
PHE387
3.397
|
|||||
| Ligand Name: 4-Phenyl-1,2,5-oxadiazol-3-amine | Ligand Info | |||||
| Structure Description | Ligand complex structure of soluble epoxide hydrolase | PDB:5AI0 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JF6 or .JF62 or .JF63 or :3JF6;style chemicals stick;color identity;select .A:310 or .A:336 or .A:339 or .A:343 or .A:365 or .A:366 or .A:371 or .A:468 or .A:469 or .A:470 or .A:472 or .A:473 or .A:475 or .A:476; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Methyl-4-phenyl-1H-pyrazole | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AK4 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GVG or .GVG2 or .GVG3 or :3GVG;style chemicals stick;color identity;select .A:267 or .A:268 or .A:310 or .A:335 or .A:336 or .A:339 or .A:343 or .A:360 or .A:363 or .A:365 or .A:366 or .A:371 or .A:375 or .A:381 or .A:383 or .A:384 or .A:408 or .A:417 or .A:419 or .A:466 or .A:469 or .A:470 or .A:472 or .A:473 or .A:476 or .A:496 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.586
PRO268
4.674
MET310
3.836
ASP335
2.811
TRP336
3.551
MET339
3.204
TYR343
3.463
THR360
4.187
ILE363
4.728
ALA365
3.793
ASN366
4.857
PRO371
3.596
ILE375
3.634
PHE381
3.180
TYR383
3.271
|
|||||
| Ligand Name: 2-Bromo-4-Tert-Butyl-6-{[(3-Phenylpropyl)amino]methyl}phenol | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AI9 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K78 or .K782 or .K783 or :3K78;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:496 or .A:497 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.604
PRO268
4.369
ASP335
2.678
TRP336
3.711
MET339
3.594
THR360
3.870
PRO361
4.984
PHE381
4.208
TYR383
2.605
GLN384
3.504
PHE387
4.173
LEU408
3.569
|
|||||
| Ligand Name: 3-(3-Fluorophenyl)-1H-pyrazole | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALV | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKNF86 SIKEIFDKAI96 SARKINRPML106 QAALMLRKKG 116 FTTAILTNTW126 LDDRAERDGL136 AQLMCELKMH146 FDFLIESCQV156 GMVKPEPQIY 166 KFLLDTLKAS176 PSEVVFLDDI186 GANLKPARDL196 GMVTILVQDT206 DTALKELEKV 216 TGIQLLNTPA226 PLPTSCNPSD236 MSHGYVTVKP246 RVRLHFVELG256 SGPAVCLCHG 266 FPESWYSWRY276 QIPALAQAGY286 RVLAMDMKGY296 GESSAPPEIE306 EYCMEVLCKE 316 MVTFLDKLGL326 SQAVFIGHDW336 GGMLVWYMAL346 FYPERVRAVA356 SLNTPFIPAN 366 PNMSPLESIK376 ANPVFDYQLY386 FQEPGVAEAE396 LEQNLSRTFK406 SLFRASDESV 416 LSMEAGGLFV430 NSPEEPSLSR440 MVTEEEIQFY450 VQQFKKSGFR460 GPLNWYRNME 470 RNWKWACKSL480 GRKILIPALM490 VTAEKDFVLV500 PQMSQHMEDW510 IPHLKRGHIE 520 DCGHWTQMDK530 PTEVNQILIK540 WLDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6TZ or .6TZ2 or .6TZ3 or :36TZ;style chemicals stick;color identity;select .A:267 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:363 or .A:371 or .A:375 or .A:381 or .A:383 or .A:384 or .A:466 or .A:469 or .A:499 or .A:503 or .A:524; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(Cyclohexylmethyl)-3-(4-Pyridyl)-1h-Pyrazol-5-Amine | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AKI | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPSIKEIFDK94 AISARKINRP104 MLQAALMLRK 114 KGFTTAILTN124 TWLDDRAERD134 GLAQLMCELK144 MHFDFLIESC154 QVGMVKPEPQ 164 IYKFLLDTLK174 ASPSEVVFLD184 DIGANLKPAR194 DLGMVTILVQ204 DTDTALKELE 214 KVTGIQLLNT224 PAPLPTSCNP234 SDMSHGYVTV244 KPRVRLHFVE254 LGSGPAVCLC 264 HGFPESWYSW274 RYQIPALAQA284 GYRVLAMDMK294 GYGESSAPPE304 IEEYCMEVLC 314 KEMVTFLDKL324 GLSQAVFIGH334 DWGGMLVWYM344 ALFYPERVRA354 VASLNTPFIP 364 ANPNMSPLES374 IKANPVFDYQ384 LYFQEPGVAE394 AELEQNLSRT404 FKSLFRASDE 414 SVLSMHKVCE424 AGGLFVNSPE434 EPSLSRMVTE444 EEIQFYVQQF454 KKSGFRGPLN 464 WYRNMERNWK474 WACKSLGRKI484 LIPALMVTAE494 KDFVLVPQMS504 QHMEDWIPHL 514 KRGHIEDCGH524 WTQMDKPTEV534 NQILIKWLDS544 DARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6NF or .6NF2 or .6NF3 or :36NF;style chemicals stick;color identity;select .A:267 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:384 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[3-[5-(7-Aminothiazolo[5,4-D]pyrimidin-2-Yl)-1-[[(2s)-Tetrahydrofuran-2-Yl]methyl]imidazol-4-Yl]phenyl]-3-(4-Methoxyphenyl)urea | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALI | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q3B or .Q3B2 or .Q3B3 or :3Q3B;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:343 or .A:360 or .A:361 or .A:362 or .A:363 or .A:374 or .A:375 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:472 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.231
PRO268
4.436
ASP335
2.702
TRP336
3.481
MET339
3.474
TYR343
3.183
THR360
4.524
PRO361
4.439
PHE362
4.637
ILE363
3.097
SER374
4.307
ILE375
4.303
PHE381
3.599
|
|||||
| Ligand Name: 2-Amino-6-methylbenzothiazole | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AI8 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RVCLPKNFSI88 KEIFDKAISA98 RKINRPMLQA108 ALMLRKKGFT 118 TAILTNTWLD128 DRAERDGLAQ138 LMCELKMHFD148 FLIESCQVGM158 VKPEPQIYKF 168 LLDTLKASPS178 EVVFLDDIGA188 NLKPARDLGM198 VTILVQDTDT208 ALKELEKVTG 218 IQLLNTPAPL228 PTSCNPSDMS238 HGYVTVKPRV248 RLHFVELGSG258 PAVCLCHGFP 268 ESWYSWRYQI278 PALAQAGYRV288 LAMDMKGYGE298 SSAPPEIEEY308 CMEVLCKEMV 318 TFLDKLGLSQ328 AVFIGHDWGG338 MLVWYMALFY348 PERVRAVASL358 NTPFIPANPN 368 MSPLESIKAN378 PVFDYQLYFQ388 EPGVAEAELE398 QNLSRTFKSL408 FRASDESVLS 418 MHKVCEAGGL428 FVNSPEEPSL438 SRMVTEEEIQ448 FYVQQFKKSG458 FRGPLNWYRN 468 MERNWKWACK478 SLGRKILIPA488 LMVTAEKDFV498 LVPQMSQHME508 DWIPHLKRGH 518 IEDCGHWTQM528 DKPTEVNQIL538 IKWLDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K2T or .K2T2 or .K2T3 or :3K2T;style chemicals stick;color identity;select .A:267 or .A:335 or .A:383 or .A:408 or .A:416 or .A:417 or .A:419 or .A:466 or .A:496 or .A:498 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Cyclopentyl-N-[(1s,3r)-5-Oxidanyl-2-Adamantyl]-2-[[(3s)-Oxolan-3-Yl]amino]pyrimidine-5-Carboxamide | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALU | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HD2 or .HD22 or .HD23 or :3HD2;style chemicals stick;color identity;select .A:11 or .A:18 or .A:19 or .A:20 or .A:21 or .A:38 or .A:41 or .A:42 or .A:45 or .A:46 or .A:50 or .A:51 or .A:54 or .A:99 or .A:124 or .A:126 or .A:159 or .A:160 or .A:161 or .A:185 or .A:186 or .A:189 or .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:362 or .A:363 or .A:364 or .A:366 or .A:369 or .A:371 or .A:372 or .A:374 or .A:375 or .A:378 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:469 or .A:496 or .A:497 or .A:498 or .A:499 or .A:502 or .A:503 or .A:504 or .A:506 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP11
2.781
ALA18
3.590
VAL19
3.077
PHE20
3.159
GLY21
3.724
ASN38
4.080
PHE41
2.644
GLN42
2.952
GLY45
3.186
PRO46
3.938
THR50
3.059
THR51
1.926
MET54
3.061
ARG99
3.385
ASN124
3.050
TRP126
3.219
VAL159
3.662
LYS160
2.737
PRO161
3.414
ASP185
2.755
ILE186
3.109
ASN189
4.778
PHE267
2.473
PRO268
3.571
ASP335
1.757
TRP336
2.543
MET339
3.090
THR360
2.924
PRO361
4.807
PHE362
3.796
ILE363
3.040
PRO364
3.519
ASN366
2.677
MET369
3.893
PRO371
2.801
LEU372
4.983
SER374
3.127
ILE375
2.876
ASN378
3.755
PHE381
2.816
TYR383
2.667
GLN384
1.834
PHE387
3.151
LEU408
3.252
LEU417
4.585
MET419
3.078
LEU428
3.632
TYR466
2.638
MET469
3.537
ASP496
2.554
PHE497
3.885
VAL498
3.185
LEU499
3.021
GLN502
4.497
MET503
2.537
SER504
4.576
HIS506
3.659
HIS524
2.783
TRP525
3.414
|
|||||
| Ligand Name: 5-Cyclohexylspiro[1h-Indole-3,4'-Oxane]-2-One | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AM4 | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MVJ or .MVJ2 or .MVJ3 or :3MVJ;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:410 or .A:416 or .A:417 or .A:419 or .A:428 or .A:495 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-Fluoranyl-3,3-Dimethyl-5-(1-Methylpyrrol-2-Yl)-1h-Indol-2-One | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AM0 | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LWS or .LWS2 or .LWS3 or :3LWS;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:415 or .A:417 or .A:419 or .A:428 or .A:466 or .A:495 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-methyl-2H-1,4-benzothiazin-3(4H)-one | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AIC | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TGX or .TGX2 or .TGX3 or :3TGX;style chemicals stick;color identity;select .A:267 or .A:335 or .A:383 or .A:408 or .A:419 or .A:466 or .A:495 or .A:496 or .A:497 or .A:498 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[[(2-Methoxy-5-Methyl-Phenyl)sulfonylamino]methyl]-4-Phenyl-N-(P-Tolylmethyl)piperidine-1-Carboxamide | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALH | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4UA or .4UA2 or .4UA3 or :34UA;style chemicals stick;color identity;select .A:267 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:363 or .A:374 or .A:375 or .A:381 or .A:383 or .A:384 or .A:408 or .A:419 or .A:466 or .A:469 or .A:496 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.815
ASP335
2.542
TRP336
3.503
MET339
3.999
THR360
3.666
PRO361
3.950
ILE363
3.756
SER374
4.836
ILE375
2.971
PHE381
2.963
TYR383
2.565
|
|||||
| Ligand Name: 5-(7-Fluoranyl-3,3-Dimethyl-2-Oxidanylidene-1h-Indol-5-Yl)-4-Methyl-1h-Pyrazole-3-Carbonitrile | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALY | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B7H or .B7H2 or .B7H3 or :3B7H;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:397 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:495 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Bromooxindole | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AKK | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 NFSIKEIFDK94 AISARKINRP104 MLQAALMLRK 114 KGFTTAILTN124 TWLDDRAERD134 GLAQLMCELK144 MHFDFLIESC154 QVGMVKPEPQ 164 IYKFLLDTLK174 ASPSEVVFLD184 DIGANLKPAR194 DLGMVTILVQ204 DTDTALKELE 214 KVTGIQLLNT224 PAPLPTSCNP234 SDMSHGYVTV244 KPRVRLHFVE254 LGSGPAVCLC 264 HGFPESWYSW274 RYQIPALAQA284 GYRVLAMDMK294 GYGESSAPPE304 IEEYCMEVLC 314 KEMVTFLDKL324 GLSQAVFIGH334 DWGGMLVWYM344 ALFYPERVRA354 VASLNTPFIP 364 ANPNMSPLES374 IKANPVFDYQ384 LYFQEPGVAE394 AELEQNLSRT404 FKSLFRASDE 414 SVLSMHKVAG426 GLFVNSPEEP436 SLSRMVTEEE446 IQFYVQQFKK456 SGFRGPLNWY 466 RNMERNWKWA476 CKSLGRKILI486 PALMVTAEKD496 FVLVPQMSQH506 MEDWIPHLKR 516 GHIEDCGHWT526 QMDKPTEVNQ536 ILIKWLDSDA546 R
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1P8 or .1P82 or .1P83 or :31P8;style chemicals stick;color identity;select .A:310 or .A:336 or .A:339 or .A:343 or .A:363 or .A:364 or .A:365 or .A:371 or .A:374 or .A:375 or .A:381 or .A:384 or .A:465 or .A:468 or .A:469 or .A:472 or .A:473 or .A:476; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[(5-Bromo-2-Pyridyl)-Methyl-Amino]ethanol | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AI4 | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDARN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4VY or .4VY2 or .4VY3 or :34VY;style chemicals stick;color identity;select .A:267 or .A:335 or .A:336 or .A:339 or .A:360 or .A:375 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:466 or .A:469 or .A:496 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Chloro-2-(isoxazol-5-yl)phenol | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALE | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ONR or .ONR2 or .ONR3 or :3ONR;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:496 or .A:498 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-Chloro-2H-1,4-benzoxazin-3(4H)-one | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AIB | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDARN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KJU or .KJU2 or .KJU3 or :3KJU;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:415 or .A:419 or .A:466 or .A:496 or .A:497 or .A:498 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3r)-1-(Cyclopropylmethyl)-3-Methyl-3-(4-Methylsulfanylphenoxy)pyrrolidine | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALM | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7GM or .7GM2 or .7GM3 or :37GM;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:363 or .A:375 or .A:381 or .A:383 or .A:384 or .A:419 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Benzyl-3-Methyl-5-(1-Methylpyrazol-4-Yl)indolin-2-One | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALO | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A0J or .A0J2 or .A0J3 or :3A0J;style chemicals stick;color identity;select .A:336 or .A:339 or .A:343 or .A:363 or .A:364 or .A:365 or .A:366 or .A:371 or .A:374 or .A:375 or .A:381 or .A:384 or .A:465 or .A:468 or .A:469 or .A:472 or .A:473 or .A:476 or .A:503; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(4-Fluorophenyl)-3,3-Dimethyl-Indolin-2-One | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALN | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5ZM or .5ZM2 or .5ZM3 or :35ZM;style chemicals stick;color identity;select .A:267 or .A:268 or .A:383 or .A:387 or .A:397 or .A:408 or .A:415 or .A:417 or .A:419 or .A:428 or .A:495 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3,3-diphenylpropyl)pyrrolidine-1-carboxamide | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AKL | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKFSIKEIFD93 KAISARKINR103 PMLQAALMLR113 KKGFTTAILT 123 NTWLDDRAER133 DGLAQLMCEL143 KMHFDFLIES153 CQVGMVKPEP163 QIYKFLLDTL 173 KASPSEVVFL183 DDIGANLKPA193 RDLGMVTILV203 QDTDTALKEL213 EKVTGIQLLN 223 TPAPLPTSCN233 PSDMSHGYVT243 VKPRVRLHFV253 ELGSGPAVCL263 CHGFPESWYS 273 WRYQIPALAQ283 AGYRVLAMDM293 KGYGESSAPP303 EIEEYCMEVL313 CKEMVTFLDK 323 LGLSQAVFIG333 HDWGGMLVWY343 MALFYPERVR353 AVASLNTPFI363 PANPNMSPLE 373 SIKANPVFDY383 QLYFQEPGVA393 EAELEQNLSR403 TFKSLFRASD413 ESVLSMHKVC 423 EAGGLFVNSP433 EEPSLSRMVT443 EEEIQFYVQQ453 FKKSGFRGPL463 NWYRNMERNW 473 KWACKSLGRK483 ILIPALMVTA493 EKDFVLVPQM503 SQHMEDWIPH513 LKRGHIEDCG 523 HWTQMDKPTE533 VNQILIKWLD543 SDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6N8 or .6N82 or .6N83 or :36N8;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:496 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Amino-1-Methyl-5-(Piperidin-1-Yl)pyrimidine-2,4(1h,3h)-Dione | Ligand Info | |||||
| Structure Description | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | PDB:3WKA | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [12] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S0G or .S0G2 or .S0G3 or :3S0G;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:495 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(1H-benzimidazol-2-ylsulfanyl)ethanol | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AKJ | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6N4 or .6N42 or .6N43 or :36N4;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:360 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Methyl-N-(3-pyridin-3-ylbenzyl)amine | Ligand Info | |||||
| Structure Description | Structure of soluble epoxide hydrolase in complex with N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine | PDB:4Y2P | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [13] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3C5 or .3C52 or .3C53 or :33C5;style chemicals stick;color identity;select .A:267 or .A:335 or .A:383 or .A:387 or .A:408 or .A:415 or .A:417 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-Nitrophenyl)-2-Phenyl-Thiomorpholine-4-Carboxamide | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALP | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QYD or .QYD2 or .QYD3 or :3QYD;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:375 or .A:381 or .A:383 or .A:384 or .A:408 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (5r)-5-Methyl-N-(2-Phenylethyl)-4,5-Dihydro-1,3-Thiazol-2-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | PDB:3WK6 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [12] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S0B or .S0B2 or .S0B3 or :3S0B;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(3-Fluoro-4-Methyl-Anilino)-4-Methyl-Quinolin-5-Ol | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALJ | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RFSIKEIFDK94 AISARKINRP104 MLQAALMLRK114 KGFTTAILTN 124 TWLDDRAERD134 GLAQLMCELK144 MHFDFLIESC154 QVGMVKPEPQ164 IYKFLLDTLK 174 ASPSEVVFLD184 DIGANLKPAR194 DLGMVTILVQ204 DTDTALKELE214 KVTGIQLLNT 224 PAPLPTSCNP234 SDMSHGYVTV244 KPRVRLHFVE254 LGSGPAVCLC264 HGFPESWYSW 274 RYQIPALAQA284 GYRVLAMDMK294 GYGESSAPPE304 IEEYCMEVLC314 KEMVTFLDKL 324 GLSQAVFIGH334 DWGGMLVWYM344 ALFYPERVRA354 VASLNTPFIP364 ANPNMSPLEV 380 FDYQLYFQEP390 GVAEAELEQN400 LSRTFKSLFR410 ASDESVLVCE424 AGGLFVNSPE 434 EPSLSRMVTE444 EEIQFYVQQF454 KKSGFRGPLN464 WYRNMERNWK474 WACKSLGRKI 484 LIPALMVTAE494 KDFVLVPQMS504 QHMEDWIPHL514 KRGHIEDCGH524 WTQMDKPTEV 534 NQILIKWLDS544 DAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T5J or .T5J2 or .T5J3 or :3T5J;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:428 or .A:466 or .A:469 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AKH | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6NM or .6NM2 or .6NM3 or :36NM;style chemicals stick;color identity;select .A:267 or .A:335 or .A:383 or .A:387 or .A:407 or .A:408 or .A:415 or .A:417 or .A:419 or .A:428 or .A:466 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 1-[(1r)-1-Cyclopropylethyl]-3-Phenylurea | Ligand Info | |||||
| Structure Description | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | PDB:3WK4 | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [12] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S0A or .S0A2 or .S0A3 or :3S0A;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(5-Chloro-2-pyridyl)thio]ethan-1-ol | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AK6 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSCLPKNF86 SIKEIFDKAI96 SARKINRPML106 QAALMLRKKG 116 FTTAILTNTW126 LDDRAERDGL136 AQLMCELKMH146 FDFLIESCQV156 GMVKPEPQIY 166 KFLLDTLKAS176 PSEVVFLDDI186 GANLKPARDL196 GMVTILVQDT206 DTALKELEKV 216 TGIQLLNTPA226 PLPTSCNPSD236 MSHGYVTVKP246 RVRLHFVELG256 SGPAVCLCHG 266 FPESWYSWRY276 QIPALAQAGY286 RVLAMDMKGY296 GESSAPPEIE306 EYCMEVLCKE 316 MVTFLDKLGL326 SQAVFIGHDW336 GGMLVWYMAL346 FYPERVRAVA356 SLNTPFIPAN 366 PNMSPLESIK376 ANPVFDYQLY386 FQEPGVAEAE396 LEQNLSRTFK406 SLFRASDESV 416 LSMHKVCEAG426 GLFVNSPEEP436 SLSRMVTEEE446 IQFYVQQFKK456 SGFRGPLNWY 466 RNMERNWKWA476 CKSLGRKILI486 PALMVTAEKD496 FVLVPQMSQH506 MEDWIPHLKR 516 GHIEDCGHWT526 QMDKPTEVNQ536 ILIKWLDSDA546 R
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YPN or .YPN2 or .YPN3 or :3YPN;style chemicals stick;color identity;select .A:335 or .A:336 or .A:339 or .A:343 or .A:360 or .A:361 or .A:363 or .A:364 or .A:365 or .A:371 or .A:381 or .A:383 or .A:384 or .A:408 or .A:410 or .A:415 or .A:417 or .A:419 or .A:466 or .A:469 or .A:472 or .A:473 or .A:476 or .A:496 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP335
3.215
TRP336
3.485
MET339
3.584
TYR343
3.773
THR360
4.163
PRO361
3.889
ILE363
3.738
PRO364
4.866
ALA365
3.992
PRO371
4.906
PHE381
4.257
TYR383
2.717
GLN384
3.074
LEU408
3.242
ARG410
3.099
|
|||||
| Ligand Name: 3-(2-Methyltetrazol-5-Yl)-5-(3-Thienyl)pyridin-2-Amine | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALT | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9XZ or .9XZ2 or .9XZ3 or :39XZ;style chemicals stick;color identity;select .A:335 or .A:336 or .A:339 or .A:360 or .A:363 or .A:371 or .A:374 or .A:375 or .A:378 or .A:381 or .A:383 or .A:384 or .A:466 or .A:469 or .A:499 or .A:503; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Oxidanylidene-N-[(1s,2r)-2-Phenylcyclopropyl]spiro[3h-Chromene-2,4'-Piperidine]-1'-Carboxamide | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AM1 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I5T or .I5T2 or .I5T3 or :3I5T;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:363 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.555
PRO268
4.315
ASP335
2.647
TRP336
3.681
MET339
3.379
THR360
4.254
PRO361
4.147
ILE363
3.809
PHE381
4.520
TYR383
2.692
GLN384
3.347
|
|||||
| Ligand Name: N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine | Ligand Info | |||||
| Structure Description | Structure of soluble epoxide hydrolase in complex with N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine | PDB:4Y2J | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [13] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .49G or .49G2 or .49G3 or :349G;style chemicals stick;color identity;select .A:267 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:384 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:469 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Cyclohexyl-3-methylurea | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AKZ | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6NX or .6NX2 or .6NX3 or :36NX;style chemicals stick;color identity;select .A:267 or .A:335 or .A:336 or .A:339 or .A:360 or .A:381 or .A:383 or .A:384 or .A:466 or .A:499 or .A:524; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(2-Phenylethyl)-1h-Indazole | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AKY | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6NJ or .6NJ2 or .6NJ3 or :36NJ;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:371 or .A:374 or .A:375 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:416 or .A:417 or .A:419 or .A:428 or .A:466 or .A:469 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.450
PRO268
4.105
ASP335
3.257
TRP336
3.633
MET339
4.049
THR360
4.472
PRO371
3.661
SER374
3.923
ILE375
3.422
PHE381
3.387
TYR383
3.073
GLN384
3.247
PHE387
4.256
|
|||||
| Ligand Name: 2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole | Ligand Info | |||||
| Structure Description | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | PDB:3WK7 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [12] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S0D or .S0D2 or .S0D3 or :3S0D;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Amino-6-(trifluoromethyl)benzothiazole | Ligand Info | |||||
| Structure Description | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | PDB:3WK8 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [12] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S0E or .S0E2 or .S0E3 or :3S0E;style chemicals stick;color identity;select .A:267 or .A:268 or .A:383 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Benzyl-1,3-dihydroquinoxalin-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | PDB:3WKB | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [12] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S0I or .S0I2 or .S0I3 or :3S0I;style chemicals stick;color identity;select .A:310 or .A:336 or .A:339 or .A:343 or .A:371 or .A:375 or .A:381 or .A:384 or .A:465 or .A:466 or .A:467 or .A:468 or .A:469 or .A:472 or .A:473 or .A:476; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-{2,5-Dimethyl-1-[(2r)-Tetrahydrofuran-2-Ylmethyl]-1h-Pyrrol-3-Yl}-1,3-Thiazol-2-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | PDB:3WKC | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [12] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S0J or .S0J2 or .S0J3 or :3S0J;style chemicals stick;color identity;select .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:363 or .A:371 or .A:374 or .A:375 or .A:381 or .A:383 or .A:384 or .A:466 or .A:469 or .A:499 or .A:503; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-(4-Bromobenzyl)-1,3-thiazol-2-amine | Ligand Info | |||||
| Structure Description | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | PDB:3WK9 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [12] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S0F or .S0F2 or .S0F3 or :3S0F;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:397 or .A:408 or .A:419 or .A:428 or .A:466 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[2-(4-Methylphenyl)sulfanylethanoyl]-1,3-Dihydroindol-2-One | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALW | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JQN or .JQN2 or .JQN3 or :3JQN;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:397 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:495 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: trans-AUCB | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AM3 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AUB or .AUB2 or .AUB3 or :3AUB;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:381 or .A:383 or .A:384 or .A:407 or .A:408 or .A:410 or .A:411 or .A:415 or .A:416 or .A:417 or .A:419 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.334
PRO268
4.991
ASP335
2.605
TRP336
3.504
MET339
4.130
THR360
3.950
PHE381
4.316
TYR383
2.473
GLN384
3.567
SER407
4.738
LEU408
3.905
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [(1r,3s,5r)-3-(Aminomethyl)-5-Methyl-Cyclohexyl]methanol | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALL | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDARN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .II6 or .II62 or .II63 or :3II6;style chemicals stick;color identity;select .A:267 or .A:335 or .A:383 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:498 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Propyl-5-(3-Pyridyl)-1h-Pyrazin-2-One | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AK5 | ||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V2Z or .V2Z2 or .V2Z3 or :3V2Z;style chemicals stick;color identity;select .A:267 or .A:335 or .A:383 or .A:408 or .A:415 or .A:417 or .A:419 or .A:466 or .A:495 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(3-Ethylsulfanylphenyl)thiophene-2-Carboxamide | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALX | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DUL or .DUL2 or .DUL3 or :3DUL;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:407 or .A:408 or .A:409 or .A:410 or .A:414 or .A:415 or .A:416 or .A:417 or .A:419 or .A:428 or .A:466 or .A:496 or .A:498 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.438
PRO268
4.320
ASP335
4.406
TYR383
4.169
PHE387
4.159
SER407
2.776
LEU408
2.908
PHE409
4.973
ARG410
3.359
GLU414
4.939
|
|||||
| Ligand Name: 5-Cyclohexyl-1,3-Dihydroindol-2-One | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALD | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FCW or .FCW2 or .FCW3 or :3FCW;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:419 or .A:428 or .A:495 or .A:496 or .A:497 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Cyclohexyl-2-Hydroxybenzoate | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AIA | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDARN
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KWB or .KWB2 or .KWB3 or :3KWB;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:410 or .A:415 or .A:419 or .A:428 or .A:466 or .A:495 or .A:496 or .A:497 or .A:498 or .A:523 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Cyclohexyl-3-Propyl-1h-Pyridin-2-One | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AM5 | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6NZ or .6NZ2 or .6NZ3 or :36NZ;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:343 or .A:363 or .A:371 or .A:374 or .A:375 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:415 or .A:417 or .A:419 or .A:428 or .A:465 or .A:466 or .A:468 or .A:469 or .A:472 or .A:473 or .A:476 or .A:495 or .A:496 or .A:497 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.579
PRO268
4.751
ASP335
4.698
TRP336
3.198
MET339
4.517
TYR343
3.537
ILE363
3.780
PRO371
4.116
SER374
4.720
ILE375
3.740
PHE381
3.898
TYR383
3.943
GLN384
3.403
PHE387
4.317
LEU408
4.284
SER415
3.617
LEU417
4.356
|
|||||
| Ligand Name: N-(5,5-Dioxodibenzothiophen-2-Yl)-4,4-Difluoro-Piperidine-1-Carboxamide | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AKE | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6N0 or .6N02 or .6N03 or :36N0;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:384 or .A:387 or .A:408 or .A:417 or .A:418 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Aminoindan | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AK3 | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XM0 or .XM02 or .XM03 or :3XM0;style chemicals stick;color identity;select .A:310 or .A:336 or .A:339 or .A:343 or .A:363 or .A:365 or .A:469 or .A:472 or .A:473 or .A:475 or .A:476; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(1-Adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALZ | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XQ9 or .XQ92 or .XQ93 or :3XQ9;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-4-ol | Ligand Info | |||||
| Structure Description | Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol | PDB:4Y2S | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [13] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .49P or .49P2 or .49P3 or :349P;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:495 or .A:496 or .A:497 or .A:498 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine | Ligand Info | |||||
| Structure Description | Structure of soluble epoxide hydrolase in complex with 2-(2-fluorophenyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine | PDB:4Y2Y | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [13] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .49Z or .49Z2 or .49Z3 or :349Z;style chemicals stick;color identity;select .A:267 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:384 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Bromoquinoline | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AI6 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4XH or .4XH2 or .4XH3 or :34XH;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:417 or .A:419 or .A:466 or .A:496 or .A:498 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Phenyl-N,N-Dipropyl-1h-Benzimidazole-5-Sulfonamide | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALF | ||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OE1 or .OE12 or .OE13 or :3OE1;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:361 or .A:363 or .A:375 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:466 or .A:469 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.208
PRO268
4.938
ASP335
1.697
TRP336
3.596
MET339
3.222
PRO361
3.994
ILE363
3.835
ILE375
3.578
PHE381
3.569
TYR383
2.566
|
|||||
| Ligand Name: 5-Butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALK | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WMR or .WMR2 or .WMR3 or :3WMR;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:496 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Cyclopentyl-2-[4-(Trifluoromethyl)phenyl]-3h-Benzimidazole-4-Sulfonamide | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5FP0 | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [14] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESNPVFDYQ384 LYFQEPGVAE394 AELEQNLSRT404 FKSLFRASDE 414 SVLSMHKVCE424 AGGLFVNSPE434 EPSLSRMVTE444 EEIQFYVQQF454 KKSGFRGPLN 464 WYRNMERNWK474 WACKSLGRKI484 LIPALMVTAE494 KDFVLVPQMS504 QHMEDWIPHL 514 KRGHIEDCGH524 WTQMDKPTEV534 NQILIKWLDS544 DARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SZC or .SZC2 or .SZC3 or :3SZC;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:469 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.417
PRO268
3.997
ASP335
2.459
TRP336
3.374
MET339
3.578
THR360
4.274
PHE381
3.590
TYR383
2.726
GLN384
3.378
PHE387
4.391
|
|||||
| Ligand Name: (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid | Ligand Info | |||||
| Structure Description | Structure of soluble epoxide hydrolase in complex with (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid | PDB:4Y2V | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [13] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4A5 or .4A52 or .4A53 or :34A5;style chemicals stick;color identity;select .A:267 or .A:335 or .A:383 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:495 or .A:496 or .A:497 or .A:498 or .A:499 or .A:523 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine | Ligand Info | |||||
| Structure Description | Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine | PDB:4Y2Q | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [13] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .49N or .49N2 or .49N3 or :349N;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:498 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(4-(Benzyloxy)phenyl)propan-1-ol | Ligand Info | |||||
| Structure Description | Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol | PDB:4Y2T | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [13] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .49Q or .49Q2 or .49Q3 or :349Q;style chemicals stick;color identity;select .A:335 or .A:336 or .A:339 or .A:360 or .A:371 or .A:374 or .A:375 or .A:381 or .A:383 or .A:384 or .A:466 or .A:469 or .A:499; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(3-Chlorophenyl)methyl]-N-[[(3s)-2,3-Dihydro-1,4-Benzodioxin-3-Yl]methyl]-3-Oxidanylidene-1,4-Benzothiazine-6-Carboxamide | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALG | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R4N or .R4N2 or .R4N3 or :3R4N;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:363 or .A:381 or .A:383 or .A:384 or .A:387 or .A:397 or .A:408 or .A:419 or .A:428 or .A:466 or .A:496 or .A:497 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.335
PRO268
3.720
ASP335
2.706
TRP336
3.438
MET339
3.828
THR360
3.725
PRO361
4.707
ILE363
4.946
PHE381
3.551
TYR383
2.822
GLN384
3.867
PHE387
3.462
|
|||||
| Ligand Name: 2-(Piperazin-1-Yl)Pyridine-3-Carbonitrile | Ligand Info | |||||
| Structure Description | Structure of soluble epoxide hydrolase in complex with 2-(piperazin-1-yl)nicotinonitrile | PDB:4Y2R | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [13] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .49O or .49O2 or .49O3 or :349O;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:383 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:498 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | PDB:3WKD | ||||
| Method | X-ray diffraction | Resolution | 2.48 Å | Mutation | No | [12] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S0K or .S0K2 or .S0K3 or :3S0K;style chemicals stick;color identity;select .A:310 or .A:336 or .A:339 or .A:343 or .A:363 or .A:364 or .A:365 or .A:366 or .A:371 or .A:375 or .A:384 or .A:388 or .A:465 or .A:466 or .A:468 or .A:469 or .A:472 or .A:473 or .A:476; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[({2-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]ethyl}amino)methyl]phenol | Ligand Info | |||||
| Structure Description | Structure of soluble epoxide hydrolase in complex with 2-({[2-(adamantan-1-yl)ethyl]amino}methyl)phenol | PDB:4Y2X | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [13] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4A0 or .4A02 or .4A03 or :34A0;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(Thiophen-2-yl)-1,3,4-thiadiazol-2-amine | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5AKG | ||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6N6 or .6N62 or .6N63 or :36N6;style chemicals stick;color identity;select .A:310 or .A:336 or .A:339 or .A:343 or .A:363 or .A:375 or .A:384 or .A:388 or .A:465 or .A:466 or .A:468 or .A:469 or .A:472; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Cyclopentyl-2-[4-(Trifluoromethyl)phenyl]-3h-Imidazo[4,5-B]pyridine-7-Sulfonamide | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALS | ||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESVFDYQLY386 FQEPGVAEAE396 LEQNLSRTFK406 SLFRASDESV 416 LSMHKVCEAG426 GLFVNSPEEP436 SLSRMVTEEE446 IQFYVQQFKK456 SGFRGPLNWY 466 RNMERNWKWA476 CKSLGRKILI486 PALMVTAEKD496 FVLVPQMSQH506 MEDWIPHLKR 516 GHIEDCGHWT526 QMDKPTEVNQ536 ILIKWLDSDA546 RN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5DQ or .5DQ2 or .5DQ3 or :35DQ;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:469 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.126
PRO268
4.018
ASP335
2.572
TRP336
3.532
MET339
3.556
THR360
4.227
PHE381
4.955
TYR383
3.041
GLN384
3.238
PHE387
4.540
|
|||||
| Ligand Name: N-[4-(Trifluoromethylsulfanyl)phenyl]quinazolin-4-Amine | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALR | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESKAFDYQL385 YFQEPGVAEA395 ELEQNLSRTF405 KSLFRASDES 415 VLSMHKVCEA425 GGLFVNSPEE435 PSLSRMVTEE445 EIQFYVQQFK455 KSGFRGPLNW 465 YRNMERNWKW475 ACKSLGRKIL485 IPALMVTAEK495 DFVLVPQMSQ505 HMEDWIPHLK 515 RGHIEDCGHW525 TQMDKPTEVN535 QILIKWLDSD545 AR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8TM or .8TM2 or .8TM3 or :38TM;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:417 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Tert-Butyl (3r)-1,2,3,4-Tetrahydroquinolin-3-Ylcarbamate | Ligand Info | |||||
| Structure Description | Structure of soluble epoxide hydrolase in complex with tert-butyl 1,2,3,4-tetrahydroquinolin-3-ylcarbamate | PDB:4Y2U | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [13] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .49R or .49R2 or .49R3 or :349R;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:360 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | PDB:3WK5 | ||||
| Method | X-ray diffraction | Resolution | 2.77 Å | Mutation | No | [12] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMEENC71 RKCSETAKVC81 LPKNFSIKEI91 FDKAISARKI101 NRPMLQAALM 111 LRKKGFTTAI121 LTNTWLDDRA131 ERDGLAQLMC141 ELKMHFDFLI151 ESCQVGMVKP 161 EPQIYKFLLD171 TLKASPSEVV181 FLDDIGANLK191 PARDLGMVTI201 LVQDTDTALK 211 ELEKVTGIQL221 LNTPAPLPTS231 CNPSDMSHGY241 VTVKPRVRLH251 FVELGSGPAV 261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM291 DMKGYGESSA301 PPEIEEYCME 311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV341 WYMALFYPER351 VRAVASLNTP 361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG391 VAEAELEQNL401 SRTFKSLFRA 411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM441 VTEEEIQFYV451 QQFKKSGFRG 461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV491 TAEKDFVLVP501 QMSQHMEDWI 511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW541 LDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S0C or .S0C2 or .S0C3 or :3S0C;style chemicals stick;color identity;select .A:267 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:384 or .A:408 or .A:419 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(3-Phenyl-1h-Pyrazol-5-Yl)cyclopentanol | Ligand Info | |||||
| Structure Description | ligand complex structure of soluble epoxide hydrolase | PDB:5ALQ | ||||
| Method | X-ray diffraction | Resolution | 2.78 Å | Mutation | No | [4] |
| PDB Sequence |
TLRAAVFDLD
11 GVLALPAVFG21 VLGRTEEALA31 LPRGLLNDAF41 QKGGPEGATT51 RLMKGEITLS 61 QWIPLMECLP83 KNFSIKEIFD93 KAISARKINR103 PMLQAALMLR113 KKGFTTAILT 123 NTWLDDRAER133 DGLAQLMCEL143 KMHFDFLIES153 CQVGMVKPEP163 QIYKFLLDTL 173 KASPSEVVFL183 DDIGANLKPA193 RDLGMVTILV203 QDTDTALKEL213 EKVTGIQLLN 223 TPAPLPTSCN233 PSDMSHGYVT243 VKPRVRLHFV253 ELGSGPAVCL263 CHGFPESWYS 273 WRYQIPALAQ283 AGYRVLAMDM293 KGYGESSAPP303 EIEEYCMEVL313 CKEMVTFLDK 323 LGLSQAVFIG333 HDWGGMLVWY343 MALFYPERVR353 AVASLNTPFI363 PANPNMSPLE 373 SIKANPVFDY383 QLYFQEPGVA393 EAELEQNLSR403 TFKSLFRASD413 ESVLSMHKVC 423 EAGGLFVNSP433 EEPSLSRMVT443 EEEIQFYVQQ453 FKKSGFRGPL463 NWYRNMERNW 473 KWACKSLGRK483 ILIPALMVTA493 EKDFVLVPQM503 SQHMEDWIPH513 LKRGHIEDCG 523 HWTQMDKPTE533 VNQILIKWLD543 SDARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GZP or .GZP2 or .GZP3 or :3GZP;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human soluble Epoxide Hydrolase C-terminal Domain (hsEH CTD)in complex with 15d-PGJ2 | PDB:6I5G | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [15] |
| PDB Sequence |
TSCNPSDMSH
239 GYVTVKPRVR249 LHFVELGSGP259 AVCLCHGFPE269 SWYSWRYQIP279 ALAQAGYRVL 289 AMDMKGYGES299 SAPPEIEEYC309 MEVLCKEMVT319 FLDKLGLSQA329 VFIGHDWGGM 339 LVWYMALFYP349 ERVRAVASLN359 TPFIPANPNM369 SPLESIKANP379 VFDYQLYFQE 389 PGVAEAELEQ399 NLSRTFKSLF409 RASDESVLSM419 HKVCEAGGLF429 VNSPEEPSLS 439 RMVTEEEIQF449 YVQQFKKSGF459 RGPLNWYRNM469 ERNWKWACKS479 LGRKILIPAL 489 MVTAEKDFVL499 VPQMSQHMED509 WIPHLKRGHI519 EDCGHWTQMD529 KPTEVNQILI 539 KWLDSD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTG or .PTG2 or .PTG3 or :3PTG;style chemicals stick;color identity;select .A:267 or .A:268 or .A:380 or .A:383 or .A:387 or .A:408 or .A:412 or .A:415 or .A:417 or .A:419 or .A:428 or .A:466 or .A:495 or .A:496 or .A:497 or .A:498 or .A:523 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(5-Chloro-1,3-Benzoxazol-2-Yl)-2-Cyclopentylacetamide | Ligand Info | |||||
| Structure Description | Crystal structure of hydrolase domain of human soluble epoxide hydrolase complexed with a benzoxazole inhibitor | PDB:3PDC | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [16] |
| PDB Sequence |
APLPTSCNPS
233 DMSHGYVTVK243 PRVRLHFVEL253 GSGPAVCLCH263 GFPESWYSWR273 YQIPALAQAG 283 YRVLAMDMKG293 YGESSAPPEI303 EEYCMEVLCK313 EMVTFLDKLG323 LSQAVFIGHD 333 WGGMLVWYMA343 LFYPERVRAV353 ASLNTPFIPA363 NPNMSPLESI373 KANPVFDYQL 383 YFQEPGVAEA393 ELEQNLSRTF403 KSLFRASDES413 VLSMHKVCEA424 GGLFVNSPEE 434 PSLSRMVTEE444 EIQFYVQQFK454 KSGFRGPLNW464 YRNMERNWKW474 ACKSLGRKIL 484 IPALMVTAEK494 DFVLVPQMSQ504 HMEDWIPHLK514 RGHIEDCGHW524 TQMDKPTEVN 534 QILIKWLDSD544 ARN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZYI or .ZYI2 or .ZYI3 or :3ZYI;style chemicals stick;color identity;select .A:265 or .A:266 or .A:333 or .A:334 or .A:337 or .A:358 or .A:379 or .A:381 or .A:382 or .A:385 or .A:406 or .A:418 or .A:427 or .A:465 or .A:497 or .A:498 or .A:523 or .A:524; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-{4-[(1-{[(1s,2r,3s)-2,3-Diphenylcyclopropyl]carbamoyl}piperidin-4-Yl)oxy]phenyl}propanoic Acid | Ligand Info | |||||
| Structure Description | Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative | PDB:4X6X | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [17] |
| PDB Sequence |
TSCNPSDMSH
239 GYVTVKPRVR249 LHFVELGSGP259 AVCLCHGFPE269 SWYSWRYQIP279 ALAQAGYRVL 289 AMDMKGYGES299 SAPPEIEEYC309 MEVLCKEMVT319 FLDKLGLSQA329 VFIGHDWGGM 339 LVWYMALFYP349 ERVRAVASLN359 TPFIPANPNM369 SPLESIKANP379 VFDYQLYFQE 389 PGVAEAELEQ399 NLSRTFKSLF409 RASDESVLSM419 HKVCEAGGLF429 VNSPEEPSLS 439 RMVTEEEIQF449 YVQQFKKSGF459 RGPLNWYRNM469 ERNWKWACKS479 LGRKILIPAL 489 MVTAEKDFVL499 VPQMSQHMED509 WIPHLKRGHI519 EDCGHWTQMD529 KPTEVNQILI 539 KWLDSD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S74 or .S742 or .S743 or :3S74;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:363 or .A:364 or .A:374 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:496 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.438
PRO268
4.145
ASP335
2.810
TRP336
3.741
MET339
3.969
THR360
4.037
PRO361
3.881
ILE363
3.357
PRO364
4.623
SER374
4.953
PHE381
4.753
TYR383
2.562
|
|||||
| Ligand Name: 4-Cyano-N-[(1s,2r)-2-Phenylcyclopropyl]benzamide | Ligand Info | |||||
| Structure Description | Human soluble epoxide hydrolase in complex with a synthetic inhibitor | PDB:3ANS | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [18] |
| PDB Sequence |
CNPSDMSHGY
241 VTVKPRVRLH251 FVELGSGPAV261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM 291 DMKGYGESSA301 PPEIEEYCME311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV 341 WYMALFYPER351 VRAVASLNTP361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG 391 VAEAELEQNL401 SRTFKSLFRA411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM 441 VTEEEIQFYV451 QQFKKSGFRG461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV 491 TAEKDFVLVP501 QMSQHMEDWI511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW 541 LDSD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S38 or .S382 or .S383 or :3S38;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Phenoxy-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide | Ligand Info | |||||
| Structure Description | Human soluble epoxide hydrolase in complex with a cyclopropyl urea derivative | PDB:4X6Y | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [17] |
| PDB Sequence |
TSCNPSDMSH
239 GYVTVKPRVR249 LHFVELGSGP259 AVCLCHGFPE269 SWYSWRYQIP279 ALAQAGYRVL 289 AMDMKGYGES299 SAPPEIEEYC309 MEVLCKEMVT319 FLDKLGLSQA329 VFIGHDWGGM 339 LVWYMALFYP349 ERVRAVASLN359 TPFIPANPNM369 SPLESIKANP379 VFDYQLYFQE 389 PGVAEAELEQ399 NLSRTFKSLF409 RASDESVLSM419 HKVCEAGGLF429 VNSPEEPSLS 439 RMVTEEEIQF449 YVQQFKKSGF459 RGPLNWYRNM469 ERNWKWACKS479 LGRKILIPAL 489 MVTAEKDFVL499 VPQMSQHMED509 WIPHLKRGHI519 EDCGHWTQMD529 KPTEVNQILI 539 KWLDSD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S94 or .S942 or .S943 or :3S94;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:363 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:469 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.558
PRO268
4.126
ASP335
2.813
TRP336
3.753
MET339
3.311
THR360
4.488
PRO361
4.610
ILE363
4.923
PHE381
4.755
TYR383
2.546
GLN384
3.546
|
|||||
| Ligand Name: 4-[3-(1-Methylethyl)-1,2,4-Oxadiazol-5-Yl]-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide | Ligand Info | |||||
| Structure Description | Human soluble epoxide hydrolase in complex with a synthetic inhibitor | PDB:3ANT | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [18] |
| PDB Sequence |
CNPSDMSHGY
241 VTVKPRVRLH251 FVELGSGPAV261 CLCHGFPESW271 YSWRYQIPAL281 AQAGYRVLAM 291 DMKGYGESSA301 PPEIEEYCME311 VLCKEMVTFL321 DKLGLSQAVF331 IGHDWGGMLV 341 WYMALFYPER351 VRAVASLNTP361 FIPANPNMSP371 LESIKANPVF381 DYQLYFQEPG 391 VAEAELEQNL401 SRTFKSLFRA411 SDESVLSMHK421 VCEAGGLFVN431 SPEEPSLSRM 441 VTEEEIQFYV451 QQFKKSGFRG461 PLNWYRNMER471 NWKWACKSLG481 RKILIPALMV 491 TAEKDFVLVP501 QMSQHMEDWI511 PHLKRGHIED521 CGHWTQMDKP531 TEVNQILIKW 541 LDSD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S82 or .S822 or .S823 or :3S82;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:363 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.526
PRO268
4.361
ASP335
2.856
TRP336
3.738
MET339
3.261
THR360
3.655
PRO361
4.651
ILE363
4.491
PHE381
4.159
TYR383
2.693
GLN384
3.439
|
|||||
| Ligand Name: 1-Ethyl-3-naphthalen-1-ylurea | Ligand Info | |||||
| Structure Description | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8 | PDB:4C4Z | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [19] |
| PDB Sequence |
TSCNPSDMSH
239 GYVTVKPRVR249 LHFVELGSGP259 AVCLCHGFPE269 SWYSWRYQIP279 ALAQAGYRVL 289 AMDMKGYGES299 SAPPEIEEYC309 MEVLCKEMVT319 FLDKLGLSQA329 VFIGHDWGGM 339 LVWYMALFYP349 ERVRAVASLN359 TPFIPANPNM369 SPLESIKANP379 VFDYQLYFQE 389 PGVAEAELEQ399 NLSRTFKSLF409 RASDESVLSM419 HKVCEAGGLF429 VNSPEEPSLS 439 RMVTEEEIQF449 YVQQFKKSGF459 RGPLNWYRNM469 ERNWKWACKS479 LGRKILIPAL 489 MVTAEKDFVL499 VPQMSQHMED509 WIPHLKRGHI519 EDCGHWTQMD529 KPTEVNQILI 539 KWLDSDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .W9L or .W9L2 or .W9L3 or :3W9L;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:466 or .A:496 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Diuron | Ligand Info | |||||
| Structure Description | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9 | PDB:4C4X | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [19] |
| PDB Sequence |
SDMSHGYVTV
244 KPRVRLHFVE254 LGSGPAVCLC264 HGFPESWYSW274 RYQIPALAQA284 GYRVLAMDMK 294 GYGESSAPPE304 IEEYCMEVLC314 KEMVTFLDKL324 GLSQAVFIGH334 DWGGMLVWYM 344 ALFYPERVRA354 VASLNTPFIP364 ANPNMSPLES374 IKANPVFDYQ384 LYFQEPGVAE 394 AELEQNLSRT404 FKSLFRASDE414 SVLSMHKVCE424 AGGLFVNSPE434 EPSLSRMVTE 444 EEIQFYVQQF454 KKSGFRGPLN464 WYRNMERNWK474 WACKSLGRKI484 LIPALMVTAE 494 KDFVLVPQMS504 QHMEDWIPHL514 KRGHIEDCGH524 WTQMDKPTEV534 NQILIKWLDS 544 DAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .W9M or .W9M2 or .W9M3 or :3W9M;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:360 or .A:383 or .A:384 or .A:408 or .A:417 or .A:419 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(3-Chlorophenyl)-3-(2-methoxyethyl)urea | Ligand Info | |||||
| Structure Description | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4 | PDB:4C4Y | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [19] |
| PDB Sequence |
PSDMSHGYVT
243 VKPRVRLHFV253 ELGSGPAVCL263 CHGFPESWYS273 WRYQIPALAQ283 AGYRVLAMDM 293 KGYGESSAPP303 EIEEYCMEVL313 CKEMVTFLDK323 LGLSQAVFIG333 HDWGGMLVWY 343 MALFYPERVR353 AVASLNTPFI363 PANPNMSPLE373 SIKANPVFDY383 QLYFQEPGVA 393 EAELEQNLSR403 TFKSLFRASD413 ESVLSMHKVC423 EAGGLFVNSP433 EEPSLSRMVT 443 EEEIQFYVQQ453 FKKSGFRGPL463 NWYRNMERNW473 KWACKSLGRK483 ILIPALMVTA 493 EKDFVLVPQM503 SQHMEDWIPH513 LKRGHIEDCG523 HWTQMDKPTE533 VNQILIKWLD 543 SDAR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7WI or .7WI2 or .7WI3 or :37WI;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:383 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:498 or .A:499 or .A:524 or .A:525; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[4-Methyl-6-(Methylamino)-1,3,5-Triazin-2-Yl]-N-[2-(Trifluoromethyl)benzyl]piperidine-4-Carboxamide | Ligand Info | |||||
| Structure Description | Soluble Epoxide Hydrolase complexed with a carboxamide inhibitor | PDB:4JNC | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [20] |
| PDB Sequence |
GSHGYVTVKP
246 RVRLHFVELG256 SGPAVCLCHG266 FPESWYSWRY276 QIPALAQAGY286 RVLAMDMKGY 296 GESSAPPEIE306 EYCMEVLCKE316 MVTFLDKLGL326 SQAVFIGHDW336 GGMLVWYMAL 346 FYPERVRAVA356 SLNTPFIPAN366 PNMSPLESIK376 ANPVFDYQLY386 FQEPGVAEAE 396 LEQNLSRTFK406 SLFRASDESV416 LSMHKVCEAG426 GLFVNSPEEP436 SLSRMVTEEE 446 IQFYVQQFKK456 SGFRGPLNWY466 RNMERNWKWA476 CKSLGRKILI486 PALMVTAEKD 496 FVLVPQMSQH506 MEDWIPHLKR516 GHIEDCGHWT526 QMDKPTEVNQ536 ILIKWLDSDA 546 RN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1LF or .1LF2 or .1LF3 or :31LF;style chemicals stick;color identity;select .A:267 or .A:268 or .A:335 or .A:336 or .A:339 or .A:360 or .A:361 or .A:363 or .A:381 or .A:383 or .A:384 or .A:387 or .A:408 or .A:419 or .A:428 or .A:466 or .A:496 or .A:498 or .A:499 or .A:503 or .A:524 or .A:525; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE267
3.456
PRO268
3.781
ASP335
2.670
TRP336
3.425
MET339
3.535
THR360
4.058
PRO361
3.759
ILE363
4.260
PHE381
3.594
TYR383
2.507
GLN384
3.744
|
|||||
| Ligand Name: 3-[4-(3,4-Dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid | Ligand Info | |||||
| Structure Description | human sEH Phosphatase in complex with 3-4-3,4-dichlorophenyl-5-phenyl-1,3-oxazol-2-yl-benzoic-acid | PDB:5MWA | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [21] |
| PDB Sequence |
NLYFQGTLRA
5 AVFDLDGVLA15 LPAVFGVLGR25 TEEALALPRG35 LLNDAFQKGG45 PEGATTRLMK 55 GEITLSQWIP65 LMEENCRKNF86 SIKEIFDKAI96 SARKINRPML106 QAALMLRKKG 116 FTTAILTNTW126 LDDRLMCELK144 MHFDFLIESC154 QVGMVKPEPQ164 IYKFLLDTLK 174 ASPSEVVFLD184 DIGANLKPAR194 DLGMVTILVQ204 DTDTALKELE214 KVTGIQLLN |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8S9 or .8S92 or .8S93 or :38S9;style chemicals stick;color identity;select .A:11 or .A:17 or .A:18 or .A:19 or .A:20 or .A:22 or .A:41 or .A:50 or .A:53 or .A:54 or .A:60 or .A:63 or .A:91 or .A:92 or .A:95 or .A:96 or .A:99 or .A:124 or .A:126 or .A:160 or .A:184 or .A:185 or .A:186 or .A:189; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP11
3.508
PRO17
3.602
ALA18
4.731
VAL19
3.381
PHE20
3.705
VAL22
4.332
PHE41
3.535
THR50
3.790
LEU53
3.314
MET54
3.483
LEU60
3.433
TRP63
3.603
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids. Protein Sci. 2006 Jan;15(1):58-64. | ||||
| REF 2 | Structure of human epoxide hydrolase reveals mechanistic inferences on bifunctional catalysis in epoxide and phosphate ester hydrolysis. Biochemistry. 2004 Apr 27;43(16):4716-23. | ||||
| REF 3 | Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase. J Med Chem. 2009 Oct 8;52(19):5880-95. | ||||
| REF 4 | Successful generation of structural information for fragment-based drug discovery. Drug Discov Today. 2015 Sep;20(9):1104-11. | ||||
| REF 5 | Kurarinone alleviated Parkinson's disease via stabilization of epoxyeicosatrienoic acids in animal model. Proc Natl Acad Sci U S A. 2022 Mar 1;119(9):e2118818119. | ||||
| REF 6 | Synthesis and structure-activity relationship of piperidine-derived non-urea soluble epoxide hydrolase inhibitors. Bioorg Med Chem Lett. 2013 Jan 15;23(2):417-21. | ||||
| REF 7 | Optimization of piperidyl-ureas as inhibitors of soluble epoxide hydrolase. Bioorg Med Chem Lett. 2010 Jan 15;20(2):571-5. | ||||
| REF 8 | Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides. Bioorg Med Chem Lett. 2013 Jul 1;23(13):3818-21. | ||||
| REF 9 | Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy. J Med Chem. 2014 Aug 28;57(16):7016-30. | ||||
| REF 10 | Identification and optimization of soluble epoxide hydrolase inhibitors with dual potency towards fatty acid amide hydrolase. Bioorg Med Chem Lett. 2018 Feb 15;28(4):762-768. | ||||
| REF 11 | Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6379-83. | ||||
| REF 12 | Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography. Bioorg Med Chem. 2014 Apr 15;22(8):2427-34. | ||||
| REF 13 | Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening. Bioorg Med Chem. 2015 May 15;23(10):2310-7. | ||||
| REF 14 | Fragment Screening of Soluble Epoxide Hydrolase for Lead Generation-Structure-Based Hit Evaluation and Chemistry Exploration. ChemMedChem. 2016 Mar 4;11(5):497-508. | ||||
| REF 15 | 15-deoxy-Delta(12,14)-Prostaglandin J(2) inhibits human soluble epoxide hydrolase by a dual orthosteric and allosteric mechanism. Commun Biol. 2019 May 17;2:188. | ||||
| REF 16 | Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening. J Med Chem. 2011 Mar 10;54(5):1211-22. | ||||
| REF 17 | Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors. Bioorg Med Chem Lett. 2015 Apr 15;25(8):1705-1708. | ||||
| REF 18 | A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors. J Med Chem. 2011 Feb 10;54(3):851-7. | ||||
| REF 19 | A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles. Angew Chem Int Ed Engl. 2015 May 26;54(22):6511-5. | ||||
| REF 20 | Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase. Bioorg Med Chem Lett. 2013 Jun 15;23(12):3584-8. | ||||
| REF 21 | Discovery of the First in Vivo Active Inhibitors of the Soluble Epoxide Hydrolase Phosphatase Domain. J Med Chem. 2019 Sep 26;62(18):8443-8460. | ||||
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