Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| 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 | |||
| Canonical SMILES | COC(=O)C(CC1=CN=CN1)NC(=O)CN(CC2=CC=CC=C2)CC(=O)O | ||||
| InChI | 1S/C18H22N4O5/c1-27-18(26)15(7-14-8-19-12-20-14)21-16(23)10-22(11-17(24)25)9-13-5-3-2-4-6-13/h2-6,8,12,15H,7,9-11H2,1H3,(H,19,20)(H,21,23)(H,24,25)/t15-/m0/s1 | ||||
| InChIKey | VJXRDRMNYWCCEG-HNNXBMFYSA-N | ||||
| PubChem Compound ID | 53378106 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2YPU human insulin degrading enzyme E111Q in complex with inhibitor compound 41367 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 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 MDINLSQAPA985 LPQPEVIQNM995 TEFKRGLPLF1005 PLVKPH |
|||||
|
|
||||||
| PDB ID: 4DTT Crystal structure of human insulin degrading enzyme (ide) in complex with compund 41367 | ||||||
| Method | X-ray diffraction | Resolution | 3.22 Å | Mutation | Yes | [1] |
| 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 MDINLSQAPA985 LPQPEVIQNM995 TEFKRGLPLF1005 PLVKPH |
|||||
|
|
HIS108
3.928
GLU111
4.244
HIS112
4.065
SER138
3.348
ASN139
3.279
ALA140
3.142
PHE141
4.229
TYR150
4.463
GLU189
3.145
HIS332
3.669
GLY335
3.714
HIS336
3.755
GLY339
3.635
GLU341
2.943
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.