Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T98311 | Target Info | |||
| Target Name | HUMAN angiotensin-converting enzyme (ACE) | ||||
| Synonyms | Kininase II; Dipeptidyl carboxypeptidase I; DCP1; DCP; CD143 antigen; CD143; ACE | ||||
| Gene Name | SLC33A1 | ||||
| Biochemical Class | Glycosylase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 3,6,9,12,15,18,21,24,27-Nonaoxanonacosane-1,29-diol | Ligand Info | |||
| Canonical SMILES | C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O | ||||
| InChI | 1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2 | ||||
| InChIKey | DTPCFIHYWYONMD-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 79689 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6H5X Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Omapatrilat. | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
LDPGLQPGQF
10 SADEAGAQLF20 AQSYQSSAEQ30 VLFQSVAASW40 AHDTNITAEN50 ARRQEEAALL 60 SQEFAEAWGQ70 KAKELYEPIW80 QQFTDPQLRR90 IIGAVRTLGS100 ANLPLAKRQQ 110 YNALLSQMSR120 IYSTAKVCLP130 ATCWSLDPDL143 TNILASSRSY153 AMLLFAWEGW 163 HNAAGIPLKP173 LYEDFTALSN183 EAYKQDGFTD193 TGAYWRSWYN203 SPTFEDDLEH 213 LYQQLEPLYL223 NLHAFVRRAL233 HRRYGDRYIN243 LRGPIPAHLL253 GDMWAQSWEN 263 IYDMVVPFPD273 KPNLDVTSTM283 LQQGWQATHM293 FRVAEEFFTS303 LELSPMPPEF 313 WEGSMLEKPA323 DGREVVCHAS333 AWDFYNRKDF343 RIKQCTRVTM353 DQLSTVHHEM 363 GHIQYYLQYK373 DLPVSLRRGA383 NPGFHEAIGD393 VLALSVSTPE403 HLHKIGLLDR 413 VTNDTESDIN423 YLLKMALEKI433 AFLPFGYLVD443 QWRWGVFSGR453 TPPSRYNFDW 463 WYLRTKYQGI473 CPPVTRNETH483 FDAGAKFHVP493 NVTPYIRYFV503 SFVLQFQFHE 513 ALCKEAGYEG523 PLHQCDIYRS533 TKAGAKLRKV543 LRAGSSRPWQ553 EVLKDMVGLD 563 ALDAQPLLKY573 FQLVTQWLQE583 QNQQNGEVLG593 WPEYQWHPPL603 PDNYPEGI |
|||||
|
|
||||||
| PDB ID: 6QS1 Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with BPPb | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
LDPGLQPGQF
10 SADEAGAQLF20 AQSYQSSAEQ30 VLFQSVAASW40 AHDTNITAEN50 ARRQEEAALL 60 SQEFAEAWGQ70 KAKELYEPIW80 QQFTDPQLRR90 IIGAVRTLGS100 ANLPLAKRQQ 110 YNALLSQMSR120 IYSTAKVCLA134 TCWSLDPDLT144 NILASSRSYA154 MLLFAWEGWH 164 NAAGIPLKPL174 YEDFTALSNE184 AYKQDGFTDT194 GAYWRSWYNS204 PTFEDDLEHL 214 YQQLEPLYLN224 LHAFVRRALH234 RRYGDRYINL244 RGPIPAHLLG254 DMWAQSWENI 264 YDMVVPFPDK274 PNLDVTSTML284 QQGWQATHMF294 RVAEEFFTSL304 ELSPMPPEFW 314 EGSMLEKPAD324 GREVVCHASA334 WDFYNRKDFR344 IKQCTRVTMD354 QLSTVHHEMG 364 HIQYYLQYKD374 LPVSLRRGAN384 PGFHEAIGDV394 LALSVSTPEH404 LHKIGLLDRV 414 TNDTESDINY424 LLKMALEKIA434 FLPFGYLVDQ444 WRWGVFSGRT454 PPSRYNFDWW 464 YLRTKYQGIC474 PPVTRNETHF484 DAGAKFHVPN494 VTPYIRYFVS504 FVLQFQFHEA 514 LCKEAGYEGP524 LHQCDIYRST534 KAGAKLRKVL544 RAGSSRPWQE554 VLKDMVGLDA 564 LDAQPLLKYF574 QLVTQWLQEQ584 NQQNGEVLGW594 PEYQWHPPLP604 DNYPEGID |
|||||
|
|
||||||
| PDB ID: 6TT4 Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with omapatrilat. | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [3] |
| PDB Sequence |
LDPGLQPGQF
10 SADEAGAQLF20 AQSYQSSAEQ30 VLFQSVAASW40 AHDTNITAEN50 ARRQEEAALL 60 SQEFAEAWGQ70 KAKELYEPIW80 QQFTDPQLRR90 IIGAVRTLGS100 ANLPLAKRQQ 110 YNALLSQMSR120 IYSTAKVCLP130 TCWSLDPDLT144 NILASSRSYA154 MLLFAWEGWH 164 NAAGIPLKPL174 YEDFTALSNE184 AYKQDGFTDT194 GAYWRSWYNS204 PTFEDDLEHL 214 YQQLEPLYLN224 LHAFVRRALH234 RRYGDRYINL244 RGPIPAHLLG254 DMWAQTWSNI 264 YDMVVPFPDK274 PNLDVTSTML284 QQGWQATHMF294 RVAEEFFTSL304 ELSPMPPEFW 314 EGSMLEKPAD324 GREVVCHASA334 WDFYNRKDFR344 IKQCTRVTME354 QLVVVHHEMG 364 HIQYFLQYKD374 LPVSLREGAN384 PGFHEAIGDV394 LALSVSTPEH404 LHKIGLLDRV 414 TNDTESDINY424 LLKMALDKIA434 FLPFGYLVDQ444 WRWGVFSGRT454 PPSRYNFDWW 464 YLRTKYQGIC474 PPVTRNETHF484 DAGAKFHVPN494 VTPYIRYFVS504 FVLQFQFHEA 514 LCKEAGYEGP524 LHQCDIYRST534 KAGAKLRKVL544 RAGSSRPWQE554 VLKDMVGLDA 564 LDAQPLLKYF574 QLVTQWLQEQ584 NQQNGEVLGW594 PEYQWHPPLP604 DNYP |
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Molecular Basis for Multiple Omapatrilat Binding Sites within the ACE C-Domain: Implications for Drug Design. J Med Chem. 2018 Nov 21;61(22):10141-10154. | ||||
| REF 2 | Structural basis for the C-domain-selective angiotensin-converting enzyme inhibition by bradykinin-potentiating peptide b (BPPb). Biochem J. 2019 May 31;476(10):1553-1570. | ||||
| REF 3 | ACE-domain selectivity extends beyond direct interacting residues at the active site. Biochem J. 2020 Apr 17;477(7):1241-1259. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.