Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T81900 | Target Info | |||
| Target Name | Insulin-degrading enzyme (IDE) | ||||
| Synonyms | Insulysin; Insulinase; Insulin protease; Abeta-degrading protease | ||||
| Target Type | Successful Target | ||||
| Gene Name | IDE | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: NTE-2 | Ligand Info | |||||
| Structure Description | Crystal structure of insulin degrading enzyme complexed with inhibitor | PDB:4PFC | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | Yes | [1] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLQH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MDSDINLSQA983 PALPQPEVIQ993 NMTEFKRGLP1003 LFPLVKPHI |
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ALA198
4.023
LEU201
3.382
PHE202
3.441
LEU204
3.975
GLU205
2.971
THR208
3.528
TYR302
3.240
ILE304
3.776
TYR314
3.541
THR316
3.691
HIS332
3.346
GLY335
3.986
HIS336
3.636
GLY339
2.772
|
|||||
| Ligand Name: Quinoline 2 | Ligand Info | |||||
| Structure Description | Crystal structure of insulin degrading enzyme complexed with inhibitor tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate | PDB:4PES | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | Yes | [2] |
| PDB Sequence |
NPAIKRIGNH
53 ITKSPEDKRE63 YRGLELANGI73 KVLLISDPTT83 DKSSAALDVH93 IGSLSDPPNI 103 AGLSHFLQHM113 LFLGTKKYPK123 ENEYSQFLSE133 HAGSSNAFTS143 GEHTNYYFDV 153 SHEHLEGALD163 RFAQFFLSPL173 FDESAKDREV183 NAVDSEHEKN193 VMNDAWRLFQ 203 LEKATGNPKH213 PFSKFGTGNK223 YTLETRPNQE233 GIDVRQELLK243 FHSAYYSSNL 253 MAVVVLGRES263 LDDLTNLVVK273 LFSEVENKNV283 PLPEFPEHPF293 QEEHLKQLYK 303 IVPIKDIRNL313 YVTFPIPDLQ323 KYYKSNPGHY333 LGHLIGHEGP343 GSLLSELKSK 353 GWVNTLVGGQ363 KEGARGFMFF373 IINVDLTEEG383 LLHVEDIILH393 MFQYIQKLRA 403 EGPQEWVFQE413 LKDLNAVAFR423 FKDKERPRGY433 TSKIAGILHY443 YPLEEVLTAE 453 YLLEEFRPDL463 IEMVLDKLRP473 ENVRVAIVSK483 SFEGKTDRTE493 EWYGTQYKQE 503 AIPDEVIKKW513 QNADLNGKFK523 LPTKNEFIPT533 NFEILPLEKE543 ATPYPALIKD 553 TAMSKLWFKQ563 DDKFFLPKAN573 LNFEFFSPFA583 YVDPLHSNMA593 YLYLELLKDS 603 LNEYAYAAEL613 AGLSYDLQNT623 IYGMYLSVKG633 YNDKQPILLK643 KIIEKMATFE 653 IDEKRFEIIK663 EAYMRSLNNF673 RAEQPHQHAM683 YYLRLLMTEV693 AWTKDELKEA 703 LDDVTLPRLK713 AFIPQLLSRL723 HIEALLHGNI733 TKQAALGIMQ743 MVEDTLIEHA 753 HTKPLLPSQL763 VRYREVQLPD773 RGWFVYQQRN783 EVHNNSGIEI793 YYQTDMQSTS 803 ENMFLELFAQ813 IISEPAFNTL823 RTKEQLGYIV833 FSGPRRANGI843 QGLRFIIQSE 853 KPPHYLESRV863 EAFLITMEKS873 IEDMTEEAFQ883 KHIQALAIRR893 LDKPKKLSAE 903 SAKYWGEIIS913 QQYNFDRDNT923 EVAYLKTLTK933 EDIIKFYKEM943 LAVDAPRRHK 953 VSVHVLAREM963 DSLSQAPALP987 QPEVIQNMTE997 FKRGLPLFPL1007 VKPHI |
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| Ligand Name: NTE-1 | Ligand Info | |||||
| Structure Description | Crystal structure of insulin degrading enzyme complexed with inhibitor | PDB:4PF9 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLQH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MDSDINLSQA983 PALPQPEVIQ993 NMTEFKRGLP1003 LFPLVKPHI |
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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 .2Q6 or .2Q62 or .2Q63 or :32Q6;style chemicals stick;color identity;select .A:198 or .A:201 or .A:202 or .A:204 or .A:205 or .A:208 or .A:302 or .A:304 or .A:314 or .A:316 or .A:332 or .A:335 or .A:336 or .A:339 or .A:341 or .A:359 or .A:360 or .A:361 or .A:362 or .A:363 or .A:364 or .A:374 or .A:376 or .A:477 or .A:478 or .A:479 or .A:609 or .A:613; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA198
4.946
LEU201
3.745
PHE202
3.565
LEU204
4.042
GLU205
2.915
THR208
3.452
TYR302
3.228
ILE304
4.064
TYR314
3.659
THR316
3.677
HIS332
3.382
GLY335
3.874
HIS336
3.663
GLY339
2.872
|
|||||
| Ligand Name: N~2~-[(2r)-4-(Hydroxyamino)-2-(2-Naphthylmethyl)-4-Oxobutanoyl]-L-Arginylglycylglycinamide | Ligand Info | |||||
| Structure Description | Human IDE-inhibitor complex at 2.6 angstrom resolution | PDB:3E4A | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [3] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLQH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MDSNPVVGNL980 SQAPALPQPE990 VIQNMTEFKR1000 GLPLFPLVKP 1010 H
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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 .QIX or .QIX2 or .QIX3 or :3QIX;style chemicals stick;color identity;select .A:108 or .A:111 or .A:112 or .A:115 or .A:116 or .A:128 or .A:138 or .A:139 or .A:140 or .A:141 or .A:182 or .A:189 or .A:192 or .A:679 or .A:816 or .A:817 or .A:820 or .A:824 or .A:825 or .A:831 or .A:832; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS108
2.465
GLN111
2.999
HIS112
3.041
PHE115
3.701
LEU116
3.107
SER128
3.402
SER138
4.148
ASN139
2.788
ALA140
3.401
PHE141
4.568
GLU182
3.792
|
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| Ligand Name: [(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol | Ligand Info | |||||
| Structure Description | Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Substrate-selective Macrocyclic Inhibitor 37 | PDB:6BYZ | ||||
| Method | X-ray diffraction | Resolution | 2.96 Å | Mutation | Yes | [4] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLQH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MDSNPINLSQ982 APALPQPEVI992 QNMTEFKRGL1002 PLFPLVKPH |
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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 .J18 or .J182 or .J183 or :3J18;style chemicals stick;color identity;select .A:197 or .A:198 or .A:199 or .A:201 or .A:202 or .A:204 or .A:205 or .A:208 or .A:302 or .A:304 or .A:314 or .A:316 or .A:360 or .A:361 or .A:362 or .A:363 or .A:364 or .A:365 or .A:374 or .A:376 or .A:477 or .A:478 or .A:479; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASP197
4.457
ALA198
2.308
TRP199
4.199
LEU201
2.846
PHE202
2.714
LEU204
3.294
GLU205
2.339
THR208
3.421
TYR302
2.927
ILE304
3.576
TYR314
3.002
THR316
2.408
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| Ligand Name: 3,4-difluoro-N-({1-[(2R)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88558 | PDB:7K1F | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [5] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLEH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MDNLSQAPAL986 PQPEVIQNMT996 EFKRGLPLFP1006 LVKPHI |
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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 .VQJ or .VQJ2 or .VQJ3 or :3VQJ;style chemicals stick;color identity;select .A:108 or .A:111 or .A:112 or .A:115 or .A:116 or .A:128 or .A:132 or .A:138 or .A:139 or .A:140 or .A:141 or .A:142 or .A:182 or .A:189 or .A:816 or .A:817 or .A:820 or .A:824 or .A:825 or .A:831 or .A:833; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS108
2.969
GLU111
2.609
HIS112
3.426
PHE115
3.439
LEU116
3.890
SER128
3.140
SER132
4.272
SER138
4.452
ASN139
3.011
ALA140
2.854
PHE141
4.264
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| Ligand Name: Methyl N-(Carboxymethyl)-N-(3-Phenylpropanoyl)glycyl-D-Histidinate | Ligand Info | |||||
| Structure Description | The structure analysis of cysteine free insulin degrading enzyme (ide) with (s)-2-{2-[carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3h-imidazol-4-yl)-propionic acid methyl ester | PDB:4GSF | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [6] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLQH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MDINLSQAPA985 LPQPEVIQNM995 TEFKRGLPLF1005 PLVKPH |
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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 .MGH or .MGH2 or .MGH3 or :3MGH;style chemicals stick;color identity;select .A:332 or .A:335 or .A:336 or .A:339 or .A:341 or .A:359 or .A:360 or .A:361 or .A:362 or .A:363 or .A:364 or .A:374 or .A:376 or .A:609; 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-Fluoro-N-({1-[(2r)-4-(Hydroxyamino)-1-(Naphthalen-2-Yl)-4-Oxobutan-2-Yl]-1h-1,2,3-Triazol-4-Yl}methyl)benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768 | PDB:4NXO | ||||
| Method | X-ray diffraction | Resolution | 2.73 Å | Mutation | Yes | [7] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLQH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MDSNPVLSQA983 PALPQPEVIQ993 NMTEFKRGLP1003 LFPLVKPH |
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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 .2H7 or .2H72 or .2H73 or :32H7;style chemicals stick;color identity;select .A:108 or .A:111 or .A:112 or .A:115 or .A:128 or .A:138 or .A:139 or .A:140 or .A:182 or .A:189 or .A:816 or .A:817 or .A:820 or .A:824 or .A:831 or .A:832 or .A:833 or .A:834; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[[2-[[(2s)-3-(3h-Imidazol-4-Yl)-1-Methoxy-1-Oxo-Propan-2-Yl]amino]-2-Oxo-Ethyl]-(Phenylmethyl)amino]ethanoic Acid | Ligand Info | |||||
| Structure Description | human insulin degrading enzyme E111Q in complex with inhibitor compound 41367 | PDB:2YPU | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [8] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLQH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MDINLSQAPA985 LPQPEVIQNM995 TEFKRGLPLF1005 PLVKPH |
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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 .I41 or .I412 or .I413 or :3I41;style chemicals stick;color identity;select .A:332 or .A:335 or .A:336 or .A:339 or .A:341 or .A:359 or .A:360 or .A:361 or .A:362 or .A:363 or .A:364 or .A:374 or .A:609; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3,4-difluoro-N-[(1S)-1-{1-[(2R)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}ethyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88646 | PDB:7K1E | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [9] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLEH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MDSNLSQAPA985 LPQPEVIQNM995 TEFKRGLPLF1005 PLVKPHI |
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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 .VQG or .VQG2 or .VQG3 or :3VQG;style chemicals stick;color identity;select .A:108 or .A:111 or .A:112 or .A:115 or .A:116 or .A:128 or .A:132 or .A:138 or .A:139 or .A:140 or .A:141 or .A:182 or .A:189 or .A:816 or .A:817 or .A:820 or .A:824 or .A:825 or .A:831 or .A:833; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS108
2.959
GLU111
2.968
HIS112
3.381
PHE115
3.652
LEU116
3.526
SER128
3.088
SER132
4.068
SER138
3.980
ASN139
2.945
ALA140
2.975
|
|||||
| Ligand Name: Methyl N-(Carboxymethyl)-N-(2-Phenylethyl)glycyl-L-Histidinate | Ligand Info | |||||
| Structure Description | Structure analysis of insulin degrading enzyme with compound bdm41559 ((s)-2-[2-(carboxymethyl-phenethyl-amino)-acetylamino]-3-(1h-imidazol-4-yl)-propionic acid methyl ester) | PDB:4GSC | ||||
| Method | X-ray diffraction | Resolution | 2.81 Å | Mutation | Yes | [8] |
| PDB Sequence |
MNNPAIKRIG
51 NHITKSPEDK61 REYRGLELAN71 GIKVLLISDP81 TTDKSSAALD91 VHIGSLSDPP 101 NIAGLSHFLQ111 HMLFLGTKKY121 PKENEYSQFL131 SEHAGSSNAF141 TSGEHTNYYF 151 DVSHEHLEGA161 LDRFAQFFLS171 PLFDESAKDR181 EVNAVDSEHE191 KNVMNDAWRL 201 FQLEKATGNP211 KHPFSKFGTG221 NKYTLETRPN231 QEGIDVRQEL241 LKFHSAYYSS 251 NLMAVVVLGR261 ESLDDLTNLV271 VKLFSEVENK281 NVPLPEFPEH291 PFQEEHLKQL 301 YKIVPIKDIR311 NLYVTFPIPD321 LQKYYKSNPG331 HYLGHLIGHE341 GPGSLLSELK 351 SKGWVNTLVG361 GQKEGARGFM371 FFIINVDLTE381 EGLLHVEDII391 LHMFQYIQKL 401 RAEGPQEWVF411 QELKDLNAVA421 FRFKDKERPR431 GYTSKIAGIL441 HYYPLEEVLT 451 AEYLLEEFRP461 DLIEMVLDKL471 RPENVRVAIV481 SKSFEGKTDR491 TEEWYGTQYK 501 QEAIPDEVIK511 KWQNADLNGK521 FKLPTKNEFI531 PTNFEILPLE541 KEATPYPALI 551 KDTAMSKLWF561 KQDDKFFLPK571 ANLNFEFFSP581 FAYVDPLHSN591 MAYLYLELLK 601 DSLNEYAYAA611 ELAGLSYDLQ621 NTIYGMYLSV631 KGYNDKQPIL641 LKKIIEKMAT 651 FEIDEKRFEI661 IKEAYMRSLN671 NFRAEQPHQH681 AMYYLRLLMT691 EVAWTKDELK 701 EALDDVTLPR711 LKAFIPQLLS721 RLHIEALLHG731 NITKQAALGI741 MQMVEDTLIE 751 HAHTKPLLPS761 QLVRYREVQL771 PDRGWFVYQQ781 RNEVHNNSGI791 EIYYQTDMQS 801 TSENMFLELF811 AQIISEPAFN821 TLRTKEQLGY831 IVFSGPRRAN841 GIQGLRFIIQ 851 SEKPPHYLES861 RVEAFLITME871 KSIEDMTEEA881 FQKHIQALAI891 RRLDKPKKLS 901 AESAKYWGEI911 ISQQYNFDRD921 NTEVAYLKTL931 TKEDIIKFYK941 EMLAVDAPRR 951 HKVSVHVLAR961 EMDSNLSQAP984 ALPQPEVIQN994 MTEFKRGLPL1004 FPLVKPHI |
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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 .MGW or .MGW2 or .MGW3 or :3MGW;style chemicals stick;color identity;select .A:332 or .A:335 or .A:336 or .A:339 or .A:341 or .A:359 or .A:360 or .A:361 or .A:362 or .A:363 or .A:364 or .A:374 or .A:609; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Fluoro-N-({1-[(2r)-4-(Hydroxyamino)-1-(Naphthalen-2-Yl)-4-Oxobutan-2-Yl]-1h-1,2,3-Triazol-5-Yl}methyl)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 71290 | PDB:4RE9 | ||||
| Method | X-ray diffraction | Resolution | 2.91 Å | Mutation | Yes | [7] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLEH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MDSNLSQAPA985 LPQPEVIQNM995 TEFKRGLPLF1005 PLVKPH |
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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 .3M9 or .3M92 or .3M93 or :33M9;style chemicals stick;color identity;select .A:108 or .A:111 or .A:112 or .A:115 or .A:127 or .A:128 or .A:138 or .A:139 or .A:140 or .A:141 or .A:182 or .A:189 or .A:816 or .A:817 or .A:820 or .A:824 or .A:831 or .A:832 or .A:833 or .A:834; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS108
3.184
GLU111
3.096
HIS112
3.216
PHE115
3.566
TYR127
4.627
SER128
3.060
SER138
3.859
ASN139
2.863
ALA140
3.209
PHE141
4.640
|
|||||
| Ligand Name: N-(Carboxymethyl)-N-(3-Phenylpropyl)glycyl-N-Methyl-L-Histidinamide | Ligand Info | |||||
| Structure Description | Structure analysis of cysteine free insulin degrading enzyme (ide) with compound bdm43079 [{[(s)-2-(1h-imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid | PDB:4GS8 | ||||
| Method | X-ray diffraction | Resolution | 2.99 Å | Mutation | Yes | [8] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLQH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MNLSQAPALP987 QPEVIQNMTE997 FKRGLPLFPL1007 VKPH |
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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 .MGJ or .MGJ2 or .MGJ3 or :3MGJ;style chemicals stick;color identity;select .A:332 or .A:335 or .A:336 or .A:339 or .A:341 or .A:359 or .A:360 or .A:361 or .A:362 or .A:363 or .A:364 or .A:374 or .A:609; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3R)-3-{4-[(3R)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1H-1,2,3-triazol-1-yl}-N-hydroxy-4-(naphthalen-2-yl)butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_77291 | PDB:7K1D | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [10] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLEH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MDSNLSQAPA985 LPQPEVIQNM995 TEFKRGLPLF1005 PLVKPHI |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VQD or .VQD2 or .VQD3 or :3VQD;style chemicals stick;color identity;select .A:108 or .A:111 or .A:112 or .A:115 or .A:116 or .A:128 or .A:132 or .A:138 or .A:139 or .A:140 or .A:141 or .A:142 or .A:182 or .A:189 or .A:431 or .A:816 or .A:817 or .A:820 or .A:824 or .A:825 or .A:831 or .A:833; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS108
3.118
GLU111
2.674
HIS112
3.309
PHE115
3.520
LEU116
3.933
SER128
3.093
SER132
4.426
SER138
3.041
ASN139
2.723
ALA140
2.686
PHE141
3.872
|
|||||
| Ligand Name: Methyl N-(Carboxymethyl)-N-(3-Phenylpropyl)glycyl-L-Histidinate | Ligand Info | |||||
| Structure Description | Structure of cystein free insulin degrading enzyme with compound bdm41671 ((s)-2-{2-[carboxymethyl-(3-phenyl-propyl)-amino]-acetylamino}-3-(1h-imidazol-4-yl)-propionic acid methyl ester) | PDB:4DWK | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [8] |
| PDB Sequence |
MNNPAIKRIG
51 NHITKSPEDK61 REYRGLELAN71 GIKVLLISDP81 TTDKSSAALD91 VHIGSLSDPP 101 NIAGLSHFLQ111 HMLFLGTKKY121 PKENEYSQFL131 SEHAGSSNAF141 TSGEHTNYYF 151 DVSHEHLEGA161 LDRFAQFFLS171 PLFDESAKDR181 EVNAVDSEHE191 KNVMNDAWRL 201 FQLEKATGNP211 KHPFSKFGTG221 NKYTLETRPN231 QEGIDVRQEL241 LKFHSAYYSS 251 NLMAVVVLGR261 ESLDDLTNLV271 VKLFSEVENK281 NVPLPEFPEH291 PFQEEHLKQL 301 YKIVPIKDIR311 NLYVTFPIPD321 LQKYYKSNPG331 HYLGHLIGHE341 GPGSLLSELK 351 SKGWVNTLVG361 GQKEGARGFM371 FFIINVDLTE381 EGLLHVEDII391 LHMFQYIQKL 401 RAEGPQEWVF411 QELKDLNAVA421 FRFKDKERPR431 GYTSKIAGIL441 HYYPLEEVLT 451 AEYLLEEFRP461 DLIEMVLDKL471 RPENVRVAIV481 SKSFEGKTDR491 TEEWYGTQYK 501 QEAIPDEVIK511 KWQNADLNGK521 FKLPTKNEFI531 PTNFEILPLE541 KEATPYPALI 551 KDTAMSKLWF561 KQDDKFFLPK571 ANLNFEFFSP581 FAYVDPLHSN591 MAYLYLELLK 601 DSLNEYAYAA611 ELAGLSYDLQ621 NTIYGMYLSV631 KGYNDKQPIL641 LKKIIEKMAT 651 FEIDEKRFEI661 IKEAYMRSLN671 NFRAEQPHQH681 AMYYLRLLMT691 EVAWTKDELK 701 EALDDVTLPR711 LKAFIPQLLS721 RLHIEALLHG731 NITKQAALGI741 MQMVEDTLIE 751 HAHTKPLLPS761 QLVRYREVQL771 PDRGWFVYQQ781 RNEVHNNSGI791 EIYYQTDMQS 801 TSENMFLELF811 AQIISEPAFN821 TLRTKEQLGY831 IVFSGPRRAN841 GIQGLRFIIQ 851 SEKPPHYLES861 RVEAFLITME871 KSIEDMTEEA881 FQKHIQALAI891 RRLDKPKKLS 901 AESAKYWGEI911 ISQQYNFDRD921 NTEVAYLKTL931 TKEDIIKFYK941 EMLAVDAPRR 951 HKVSVHVLAR961 EMNLSQAPAL986 PQPEVIQNMT996 EFKRGLPLFP1006 LVKPH |
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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 .MGK or .MGK2 or .MGK3 or :3MGK;style chemicals stick;color identity;select .A:332 or .A:335 or .A:336 or .A:339 or .A:340 or .A:341 or .A:359 or .A:360 or .A:361 or .A:362 or .A:363 or .A:364 or .A:374 or .A:609; 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-Benzyl-N-(Carboxymethyl)glycyl-L-Histidine | Ligand Info | |||||
| Structure Description | Crystal structure of human insulin degrading enzyme (ide) in complex with inhibitor N-benzyl-N-(carboxymethyl)glycyl-L-histidine | PDB:4QIA | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | Yes | [6] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLQH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQDMQSTS 803 ENMFLELFAQ813 IISEPAFNTL823 RTKEQLGYIV833 FSGPRRANGI843 QGLRFIIQSE 853 KPPHYLESRV863 EAFLITMEKS873 IEDMTEEAFQ883 KHIQALAIRR893 LDKPKKLSAE 903 SAKYWGEIIS913 QQYNFDRDNT923 EVAYLKTLTK933 EDIIKFYKEM943 LAVDAPRRHK 953 VSVHVLAREM963 NLSQAPALPQ988 PEVIQNMTEF998 KRGLPLFPLV1008 KPH |
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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 .33K or .33K2 or .33K3 or :333K;style chemicals stick;color identity;select .A:335 or .A:336 or .A:339 or .A:340 or .A:341 or .A:359 or .A:360 or .A:361 or .A:362 or .A:363 or .A:364 or .A:374 or .A:609; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2s)-2-Amino-N-{(1s)-1-Cyclohexyl-2-[(4-Methylphenyl)amino]-2-Oxoethyl}-4-(Methylselanyl)butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of insulin degrading enzyme complexed with inhibitor | PDB:4PF7 | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | Yes | [1] |
| PDB Sequence |
NPAIKRIGNH
53 ITKSPEDKRE63 YRGLELANGI73 KVLLISDPTT83 DKSSAALDVH93 IGSLSDPPNI 103 AGLSHFLQHM113 LFLGTKKYPK123 ENEYSQFLSE133 HAGSSNAFTS143 GEHTNYYFDV 153 SHEHLEGALD163 RFAQFFLSPL173 FDESAKDREV183 NAVDSEHEKN193 VMNDAWRLFQ 203 LEKATGNPKH213 PFSKFGTGNK223 YTLETRPNQE233 GIDVRQELLK243 FHSAYYSSNL 253 MAVVVLGRES263 LDDLTNLVVK273 LFSEVENKNV283 PLPEFPEHPF293 QEEHLKQLYK 303 IVPIKDIRNL313 YVTFPIPDLQ323 KYYKSNPGHY333 LGHLIGHEGP343 GSLLSELKSK 353 GWVNTLVGGQ363 KEGARGFMFF373 IINVDLTEEG383 LLHVEDIILH393 MFQYIQKLRA 403 EGPQEWVFQE413 LKDLNAVAFR423 FKDKERPRGY433 TSKIAGILHY443 YPLEEVLTAE 453 YLLEEFRPDL463 IEMVLDKLRP473 ENVRVAIVSK483 SFEGKTDRTE493 EWYGTQYKQE 503 AIPDEVIKKW513 QNADLNGKFK523 LPTKNEFIPT533 NFEILPLEKE543 ATPYPALIKD 553 TAMSKLWFKQ563 DDKFFLPKAN573 LNFEFFSPFA583 YVDPLHSNMA593 YLYLELLKDS 603 LNEYAYAAEL613 AGLSYDLQNT623 IYGMYLSVKG633 YNDKQPILLK643 KIIEKMATFE 653 IDEKRFEIIK663 EAYMRSLNNF673 RAEQPHQHAM683 YYLRLLMTEV693 AWTKDELKEA 703 LDDVTLPRLK713 AFIPQLLSRL723 HIEALLHGNI733 TKQAALGIMQ743 MVEDTLIEHA 753 HTKPLLPSQL763 VRYREVQLPD773 RGWFVYQQRN783 EVHNNSGIEI793 YYQTDMQSTS 803 ENMFLELFAQ813 IISEPAFNTL823 RTKEQLGYIV833 FSGPRRANGI843 QGLRFIIQSE 853 KPPHYLESRV863 EAFLITMEKS873 IEDMTEEAFQ883 KHIQALAIRR893 LDKPKKLSAE 903 SAKYWGEIIS913 QQYNFDRDNT923 EVAYLKTLTK933 EDIIKFYKEM943 LAVDAPRRHK 953 VSVHVLAREM963 DSLSQAPALP987 QPEVIQNMTE997 FKRGLPLFPL1007 VKPHI |
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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 .2QW or .2QW2 or .2QW3 or :32QW;style chemicals stick;color identity;select .A:332 or .A:335 or .A:336 or .A:339 or .A:340 or .A:341 or .A:359 or .A:360 or .A:361 or .A:362 or .A:363 or .A:364 or .A:374 or .A:609 or .A:613; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: {(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol | Ligand Info | |||||
| Structure Description | Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Glucagon and Substrate-selective Macrocyclic Inhibitor 63 | PDB:6EDS | ||||
| Method | X-ray diffraction | Resolution | 3.18 Å | Mutation | Yes | [4] |
| PDB Sequence |
NNPAIKRIGN
52 HITKSPEDKR62 EYRGLELANG72 IKVLLISDPT82 TDKSSAALDV92 HIGSLSDPPN 102 IAGLSHFLQH112 MLFLGTKKYP122 KENEYSQFLS132 EHAGSSNAFT142 SGEHTNYYFD 152 VSHEHLEGAL162 DRFAQFFLSP172 LFDESAKDRE182 VNAVDSEHEK192 NVMNDAWRLF 202 QLEKATGNPK212 HPFSKFGTGN222 KYTLETRPNQ232 EGIDVRQELL242 KFHSAYYSSN 252 LMAVVVLGRE262 SLDDLTNLVV272 KLFSEVENKN282 VPLPEFPEHP292 FQEEHLKQLY 302 KIVPIKDIRN312 LYVTFPIPDL322 QKYYKSNPGH332 YLGHLIGHEG342 PGSLLSELKS 352 KGWVNTLVGG362 QKEGARGFMF372 FIINVDLTEE382 GLLHVEDIIL392 HMFQYIQKLR 402 AEGPQEWVFQ412 ELKDLNAVAF422 RFKDKERPRG432 YTSKIAGILH442 YYPLEEVLTA 452 EYLLEEFRPD462 LIEMVLDKLR472 PENVRVAIVS482 KSFEGKTDRT492 EEWYGTQYKQ 502 EAIPDEVIKK512 WQNADLNGKF522 KLPTKNEFIP532 TNFEILPLEK542 EATPYPALIK 552 DTAMSKLWFK562 QDDKFFLPKA572 NLNFEFFSPF582 AYVDPLHSNM592 AYLYLELLKD 602 SLNEYAYAAE612 LAGLSYDLQN622 TIYGMYLSVK632 GYNDKQPILL642 KKIIEKMATF 652 EIDEKRFEII662 KEAYMRSLNN672 FRAEQPHQHA682 MYYLRLLMTE692 VAWTKDELKE 702 ALDDVTLPRL712 KAFIPQLLSR722 LHIEALLHGN732 ITKQAALGIM742 QMVEDTLIEH 752 AHTKPLLPSQ762 LVRYREVQLP772 DRGWFVYQQR782 NEVHNNSGIE792 IYYQTDMQST 802 SENMFLELFA812 QIISEPAFNT822 LRTKEQLGYI832 VFSGPRRANG842 IQGLRFIIQS 852 EKPPHYLESR862 VEAFLITMEK872 SIEDMTEEAF882 QKHIQALAIR892 RLDKPKKLSA 902 ESAKYWGEII912 SQQYNFDRDN922 TEVAYLKTLT932 KEDIIKFYKE942 MLAVDAPRRH 952 KVSVHVLARE962 MDSNPINLSQ982 APALPQPEVI992 QNMTEFKRGL1002 PLFPLVKPH |
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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 .J22 or .J222 or .J223 or :3J22;style chemicals stick;color identity;select .A:198 or .A:199 or .A:201 or .A:202 or .A:204 or .A:205 or .A:208 or .A:302 or .A:304 or .A:314 or .A:315 or .A:316 or .A:360 or .A:361 or .A:362 or .A:363 or .A:364 or .A:365 or .A:374 or .A:375 or .A:376 or .A:477 or .A:478 or .A:479; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ALA198
2.775
TRP199
4.698
LEU201
2.794
PHE202
2.982
LEU204
3.348
GLU205
2.519
THR208
2.865
TYR302
2.498
ILE304
3.662
TYR314
3.053
VAL315
4.869
THR316
2.442
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo. J Biol Chem. 2015 Aug 14;290(33):20044-59. | ||||
| REF 2 | Crystal structure of IDE complexed with an inhibitor | ||||
| REF 3 | Designed inhibitors of insulin-degrading enzyme regulate the catabolism and activity of insulin. PLoS One. 2010 May 7;5(5):e10504. | ||||
| REF 4 | Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme. Nat Chem Biol. 2019 Jun;15(6):565-574. | ||||
| REF 5 | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 4 | ||||
| REF 6 | Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme. Eur J Med Chem. 2015 Jan 27;90:547-67. | ||||
| REF 7 | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice. Nat Commun. 2015 Sep 23;6:8250. | ||||
| REF 8 | Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid- hydrolysis. Eur J Med Chem. 2014 May 22;79:184-93. | ||||
| REF 9 | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 3 | ||||
| REF 10 | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 2 | ||||
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