Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T08133 | Target Info | |||
| Target Name | Transient receptor potential cation channel V6 (TRPV6) | ||||
| Synonyms | Transient receptor potential cation channel subfamily V, member 6; TRPV6; HTRP8; ECaC2; Calcium transport protein CaT1; Calcium channel CAT1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | TRPV6 | ||||
| Biochemical Class | Transient receptor potential catioin channel | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 2-APB | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human TRPV6-Y467A in complex with 2-Aminoethoxydiphenyl borate (2-APB) | PDB:6D7T | ||||
| Method | Electron microscopy | Resolution | 4.44 Å | Mutation | Yes | [1] |
| PDB Sequence |
SWAQSRDEQN
37 LLQQKRIWES47 PLLLAAKDND57 VQALNKLLKY67 EDCKVHQRGA77 MGETALHIAA 87 LYDNLEAAMV97 LMEAAPELVF107 EPMTSELYEG117 QTALHIAVVN127 QNMNLVRALL 137 ARRASVSARA147 TGTAFRRSPC157 NLIYFGEHPL167 SFAACVNSEE177 IVRLLIEHGA 187 DIRAQDSLGN197 TVLHILILQP207 NKTFACQMYN217 LLLSYDRHGD227 HLQPLDLVPN 237 HQGLTPFKLA247 GVEGNTVMFQ257 HLMQKRKHTQ267 WTYGPLTSTL277 YDLTEIDSSG 287 DEQSLLELII297 TTKKREARQI307 LDQTPVKELV317 SLKWKRYGRP327 YFCMLGAIYL 337 LYIICFTMCC347 IYRPLKPRTN357 NRTSPRDNTL367 LQQKLLQEAY377 MTPKDDIRLV 387 GELVTVIGAI397 IILLVEVPDI407 FRMGVTRFFG417 QTILGGPFHV427 LIITYAFMVL 437 VTMVMRLISA447 SGEVVPMSFA457 LVLGWCNVMA467 FARGFQMLGP477 FTIMIQKMIF 487 GDLMRFCWLM497 AVVILGFASA507 FYIIFQTEDP517 EELGHFYDYP527 MALFSTFELF 537 LTIIDGPANY547 NVDLPFMYSI557 TYAAFAIIAT567 LLMLNLLIAM577 MGDTHWRVAH 587 ERDELWRAQI597 VATTVMLERK607 LPRCLWPRSG617 ICGREYGLGD627 RWFLRVEDRQ 637 D
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| Ligand Name: 1-[cis-4-(3-Methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor cis-22a | PDB:7K4B | ||||
| Method | Electron microscopy | Resolution | 3.10 Å | Mutation | No | [2] |
| PDB Sequence |
WFQRRESWAQ
31 SRDEQNLLQQ41 KRIWESPLLL51 AAKDNDVQAL61 NKLLKYEDCK71 VHQRGAMGET 81 ALHIAALYDN91 LEAAMVLMEA101 APELVFEPMT111 SELYEGQTAL121 HIAVVNQNMN 131 LVRALLARRA141 SVSARATGTA151 FRRSPCNLIY161 FGEHPLSFAA171 CVNSEEIVRL 181 LIEHGADIRA191 QDSLGNTVLH201 ILILQPNKTF211 ACQMYNLLLS221 YDRHGDHLQP 231 LDLVPNHQGL241 TPFKLAGVEG251 NTVMFQHLMQ261 KRKHTQWTYG271 PLTSTLYDLT 281 EIDSSGDEQS291 LLELIITTKK301 REARQILDQT311 PVKELVSLKW321 KRYGRPYFCM 331 LGAIYLLYII341 CFTMCCIYRP351 LKPRTNNRTS361 PRDNTLLQQK371 LLQEAYMTPK 381 DDIRLVGELV391 TVIGAIIILL401 VEVPDIFRMG411 VTPFHVLIIT431 YAFMVLVTMV 441 MRLISASGEV451 VPMSFALVLG461 WCNVMYFARG471 FQMLGPFTIM481 IQKMIFGDLM 491 RFCWLMAVVI501 LGFASAFYII511 FQTEDPEELG521 HFYDYPMALF531 STFELFLTII 541 DGPANYNVDL551 PFMYSITYAA561 FAIIATLLML571 NLLIAMMGDT581 HWRVAHERDE 591 LWRAQIVATT601 VMLERKLPRC611 LWPRSGICGR621 EYGLGDRWFL631 RVEDRQD |
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PRO424
3.706
PHE425
3.799
LEU428
4.268
SER455
4.567
PHE456
3.331
VAL459
3.504
LEU460
4.543
CYS463
4.183
MET466
3.719
THR479
3.720
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| Ligand Name: Cholesterol hemisuccinate | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor cis-22a | PDB:7K4B | ||||
| Method | Electron microscopy | Resolution | 3.10 Å | Mutation | No | [2] |
| PDB Sequence |
WFQRRESWAQ
31 SRDEQNLLQQ41 KRIWESPLLL51 AAKDNDVQAL61 NKLLKYEDCK71 VHQRGAMGET 81 ALHIAALYDN91 LEAAMVLMEA101 APELVFEPMT111 SELYEGQTAL121 HIAVVNQNMN 131 LVRALLARRA141 SVSARATGTA151 FRRSPCNLIY161 FGEHPLSFAA171 CVNSEEIVRL 181 LIEHGADIRA191 QDSLGNTVLH201 ILILQPNKTF211 ACQMYNLLLS221 YDRHGDHLQP 231 LDLVPNHQGL241 TPFKLAGVEG251 NTVMFQHLMQ261 KRKHTQWTYG271 PLTSTLYDLT 281 EIDSSGDEQS291 LLELIITTKK301 REARQILDQT311 PVKELVSLKW321 KRYGRPYFCM 331 LGAIYLLYII341 CFTMCCIYRP351 LKPRTNNRTS361 PRDNTLLQQK371 LLQEAYMTPK 381 DDIRLVGELV391 TVIGAIIILL401 VEVPDIFRMG411 VTPFHVLIIT431 YAFMVLVTMV 441 MRLISASGEV451 VPMSFALVLG461 WCNVMYFARG471 FQMLGPFTIM481 IQKMIFGDLM 491 RFCWLMAVVI501 LGFASAFYII511 FQTEDPEELG521 HFYDYPMALF531 STFELFLTII 541 DGPANYNVDL551 PFMYSITYAA561 FAIIATLLML571 NLLIAMMGDT581 HWRVAHERDE 591 LWRAQIVATT601 VMLERKLPRC611 LWPRSGICGR621 EYGLGDRWFL631 RVEDRQD |
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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 .Y01 or .Y012 or .Y013 or :3Y01;style chemicals stick;color identity;select .A:332 or .A:335 or .A:336 or .A:339 or .A:391 or .A:394 or .A:395 or .A:398 or .A:399 or .A:402 or .A:403 or .A:424 or .A:425 or .A:426 or .A:429 or .A:467 or .A:468 or .A:470 or .A:550 or .A:551 or .A:552 or .A:553 or .A:556 or .A:557 or .A:560 or .A:564 or .A:603; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU332
3.552
ILE335
3.876
TYR336
3.721
TYR339
3.581
VAL391
3.748
ILE394
3.926
GLY395
3.944
ILE398
3.740
ILE399
3.841
VAL402
3.704
GLU403
3.202
PRO424
3.975
PHE425
3.627
HIS426
3.060
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-[[4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 3OG | PDB:7K4D | ||||
| Method | Electron microscopy | Resolution | 3.66 Å | Mutation | No | [2] |
| PDB Sequence |
SWAQSRDEQN
37 LLQQKRIWES47 PLLLAAKDND57 VQALNKLLKY67 EDCKVHQRGA77 MGETALHIAA 87 LYDNLEAAMV97 LMEAAPELVF107 EPMTSELYEG117 QTALHIAVVN127 QNMNLVRALL 137 ARRASVSARA147 TGTAFRRSPC157 NLIYFGEHPL167 SFAACVNSEE177 IVRLLIEHGA 187 DIRAQDSLGN197 TVLHILILQP207 NKTFACQMYN217 LLLSYDRHGD227 HLQPLDLVPN 237 HQGLTPFKLA247 GVEGNTVMFQ257 HLMQKRKHTQ267 WTYGPLTSTL277 YDLTEIDSSG 287 DEQSLLELII297 TTKKREARQI307 LDQTPVKELV317 SLKWKRYGRP327 YFCMLGAIYL 337 LYIICFTMCC347 IYRPLKPRTN357 NRTSPRDNTL367 LQQKLLQEAY377 MTPKDDIRLV 387 GELVTVIGAI397 IILLVEVPDI407 FRMGVTRFFG417 QTILGGPFHV427 LIITYAFMVL 437 VTMVMRLISA447 SGEVVPMSFA457 LVLGWCNVMY467 FARGFQMLGP477 FTIMIQKMIF 487 GDLMRFCWLM497 AVVILGFASA507 FYIIFQTEDP517 EELGHFYDYP527 MALFSTFELF 537 LTIIDGPANY547 NVDLPFMYSI557 TYAAFAIIAT567 LLMLNLLIAM577 MGDTHWRVAH 587 ERDELWRAQI597 VATTVMLERK607 LPRCLWPRSG617 ICGREYGLGD627 RWFLRVEDRQ 637 DL
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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 .VUM or .VUM2 or .VUM3 or :3VUM;style chemicals stick;color identity;select .A:424 or .A:425 or .A:428 or .A:456 or .A:459 or .A:460 or .A:463 or .A:466 or .A:479 or .A:482 or .A:483 or .A:486; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 31 | PDB:7K4F | ||||
| Method | Electron microscopy | Resolution | 3.75 Å | Mutation | No | [2] |
| PDB Sequence |
RESWAQSRDE
35 QNLLQQKRIW45 ESPLLLAAKD55 NDVQALNKLL65 KYEDCKVHQR75 GAMGETALHI 85 AALYDNLEAA95 MVLMEAAPEL105 VFEPMTSELY115 EGQTALHIAV125 VNQNMNLVRA 135 LLARRASVSA145 RATGTAFRRS155 PCNLIYFGEH165 PLSFAACVNS175 EEIVRLLIEH 185 GADIRAQDSL195 GNTVLHILIL205 QPNKTFACQM215 YNLLLSYDRH225 GDHLQPLDLV 235 PNHQGLTPFK245 LAGVEGNTVM255 FQHLMQKRKH265 TQWTYGPLTS275 TLYDLTEIDS 285 SGDEQSLLEL295 IITTKKREAR305 QILDQTPVKE315 LVSLKWKRYG325 RPYFCMLGAI 335 YLLYIICFTM345 CCIYRPLKPR355 TNNRTSPRDN365 TLLQQKLLQE375 AYMTPKDDIR 385 LVGELVTVIG395 AIIILLVEVP405 DIFRMGVTRF415 FGQTILGGPF425 HVLIITYAFM 435 VLVTMVMRLI445 SASGEVVPMS455 FALVLGWCNV465 MYFARGFQML475 GPFTIMIQKM 485 IFGDLMRFCW495 LMAVVILGFA505 SAFYIIFQTE515 DPEELGHFYD525 YPMALFSTFE 535 LFLTIIDGPA545 NYNVDLPFMY555 SITYAAFAII565 ATLLMLNLLI575 AMMGDTHWRV 585 AHERDELWRA595 QIVATTVMLE605 RKLPRCLWPR615 SGICGREYGL625 GDRWFLRVED 635 RQDL
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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 .5GK or .5GK2 or .5GK3 or :35GK;style chemicals stick;color identity;select .A:424 or .A:425 or .A:428 or .A:456 or .A:459 or .A:460 or .A:463 or .A:466 or .A:479 or .A:482 or .A:483 or .A:486 or .A:575 or .A:576 or .A:579 or .A:580 or .A:583; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(5-Bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor Br-cis-22a | PDB:7K4C | ||||
| Method | Electron microscopy | Resolution | 3.78 Å | Mutation | No | [2] |
| PDB Sequence |
SWAQSRDEQN
37 LLQQKRIWES47 PLLLAAKDND57 VQALNKLLKY67 EDCKVHQRGA77 MGETALHIAA 87 LYDNLEAAMV97 LMEAAPELVF107 EPMTSELYEG117 QTALHIAVVN127 QNMNLVRALL 137 ARRASVSARA147 TGTAFRRSPC157 NLIYFGEHPL167 SFAACVNSEE177 IVRLLIEHGA 187 DIRAQDSLGN197 TVLHILILQP207 NKTFACQMYN217 LLLSYDRHGD227 HLQPLDLVPN 237 HQGLTPFKLA247 GVEGNTVMFQ257 HLMQKRKHTQ267 WTYGPLTSTL277 YDLTEIDSSG 287 DEQSLLELII297 TTKKREARQI307 LDQTPVKELV317 SLKWKRYGRP327 YFCMLGAIYL 337 LYIICFTMCC347 IYRPLKPRTN357 NRTSPRDNTL367 LQQKLLQEAY377 MTPKDDIRLV 387 GELVTVIGAI397 IILLVEVPDI407 FRMGVTRFFG417 QTILGGPFHV427 LIITYAFMVL 437 VTMVMRLISA447 SGEVVPMSFA457 LVLGWCNVMY467 FARGFQMLGP477 FTIMIQKMIF 487 GDLMRFCWLM497 AVVILGFASA507 FYIIFQTEDP517 EELGHFYDYP527 MALFSTFELF 537 LTIIDGPANY547 NVDLPFMYSI557 TYAAFAIIAT567 LLMLNLLIAM577 MGDTHWRVAH 587 ERDELWRAQI597 VATTVMLERK607 LPRCLWPRSG617 ICGREYGLGD627 RWFLRVEDRQ 637 D
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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 .81F or .81F2 or .81F3 or :381F;style chemicals stick;color identity;select .A:424 or .A:425 or .A:428 or .A:456 or .A:459 or .A:460 or .A:463 or .A:466 or .A:479 or .A:482 or .A:483 or .A:486 or .A:487; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 30 | PDB:7K4E | ||||
| Method | Electron microscopy | Resolution | 4.34 Å | Mutation | No | [2] |
| PDB Sequence |
FCRWFQRRES
28 WAQSRDEQNL38 LQQKRIWESP48 LLLAAKDNDV58 QALNKLLKYE68 DCKVHQRGAM 78 GETALHIAAL88 YDNLEAAMVL98 MEAAPELVFE108 PMTSELYEGQ118 TALHIAVVNQ 128 NMNLVRALLA138 RRASVSARAT148 GTAFRRSPCN158 LIYFGEHPLS168 FAACVNSEEI 178 VRLLIEHGAD188 IRAQDSLGNT198 VLHILILQPN208 KTFACQMYNL218 LLSYDRHGDH 228 LQPLDLVPNH238 QGLTPFKLAG248 VEGNTVMFQH258 LMQKRKHTQW268 TYGPLTSTLY 278 DLTEIDSSGD288 EQSLLELIIT298 TKKREARQIL308 DQTPVKELVS318 LKWKRYGRPY 328 FCMLGAIYLL338 YIICFTMCCI348 YRPLKPRTNN358 RTSPRDNTLL368 QQKLLQEAYM 378 TPKDDIRLVG388 ELVTVIGAII398 ILLVEVPDIF408 RMGVTRFFGQ418 TILGGPFHVL 428 IITYAFMVLV438 TMVMRLISAS448 GEVVPMSFAL458 VLGWCNVMYF468 ARGFQMLGPF 478 TIMIQKMIFG488 DLMRFCWLMA498 VVILGFASAF508 YIIFQTEDPE518 ELGHFYDYPM 528 ALFSTFELFL538 TIIDGPANYN548 VDLPFMYSIT558 YAAFAIIATL568 LMLNLLIAMM 578 GDTHWRVAHE588 RDELWRAQIV598 ATTVMLERKL608 PRCLWPRSGI618 CGREYGLGDR 628 WFLRVEDRQD638
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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 .VUJ or .VUJ2 or .VUJ3 or :3VUJ;style chemicals stick;color identity;select .A:424 or .A:425 or .A:428 or .A:456 or .A:459 or .A:460 or .A:463 or .A:466 or .A:479 or .A:482 or .A:486; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB. Nat Commun. 2018 Jun 25;9(1):2465. | ||||
| REF 2 | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv. 2020 Nov 27;6(48):eabe1508. | ||||
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