Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T76369 | Target Info | |||
| Target Name | Liver carboxylesterase (CES1) | ||||
| Synonyms | Serine esterase 1; Monocyte/macrophage serine esterase; Human carboxylesterase 1; HMSE; HCE1; CES1; Brain carboxylesterase hBr1; Acyl coenzyme A:cholesterol acyltransferase | ||||
| Target Type | Successful Target | ||||
| Gene Name | CES1 | ||||
| Biochemical Class | Carboxylic ester hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | O-Sialic Acid | Ligand Info | |||
| Canonical SMILES | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O | ||||
| InChI | 1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1 | ||||
| InChIKey | SQVRNKJHWKZAKO-YRMXFSIDSA-N | ||||
| PubChem Compound ID | 444885 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1MX1 Crystal Structure of Human Liver Carboxylesterase in complex with tacrine | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
SSPPVVDTVH
1030 GKVLGKFVSL1040 EGFAQPVAIF1050 LGIPFAKPPL1060 GPLRFTPPQP1070 AEPWSFVKNA 1080 TSYPPMCTQD1090 PKAGQLLSEL1100 FTNRKENIPL1110 KLSEDCLYLN1120 IYTPADLTKK 1130 NRLPVMVWIH1140 GGGLMVGAAS1150 TYDGLALAAH1160 ENVVVVTIQY1170 RLGIWGFFST 1180 GDEHSRGNWG1190 HLDQVAALRW1200 VQDNIASFGG1210 NPGSVTIFGE1220 SAGGESVSVL 1230 VLSPLAKNLF1240 HRAISESGVA1250 LTSVLVKKGD1260 VKPLAEQIAI1270 TAGCKTTTSA 1280 VMVHCLRQKT1290 EEELLETTLK1300 MKFLSLDLQG1310 DPRESQPLLG1320 TVIDGMLLLK 1330 TPEELQAERN1340 FHTVPYMVGI1350 NKQEFGWLIP1360 MLMSYPLSEG1371 QLDQKTAMSL 1381 LWKSYPLVCI1391 AKELIPEATE1401 KYLGGTDDTV1411 KKKDLFLDLI1421 ADVMFGVPSV 1431 IVARNHRDAG1441 APTYMYEFQY1451 RPSFSSDMKP1461 KTVIGDHGDE1471 LFSVFGAPFL 1481 KEGASEEEIR1491 LSKMVMKFWA1501 NFARNGNPNG1511 EGLPHWPEYN1521 QKEGYLQIGA 1531 NTQAAQKLKD1541 KEVAFWTNLF1551 AK
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| PDB ID: 1MX5 Crystal Structure of Human Liver Carboxylesterase in complexed with homatropine, a cocaine analogue | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [2] |
| PDB Sequence |
SSPPVVDTVH
1030 GKVLGKFVSL1040 EGFAQPVAIF1050 LGIPFAKPPL1060 GPLRFTPPQP1070 AEPWSFVKNA 1080 TSYPPMCTQD1090 PKAGQLLSEL1100 FTNRKENIPL1110 KLSEDCLYLN1120 IYTPADLTKK 1130 NRLPVMVWIH1140 GGGLMVGAAS1150 TYDGLALAAH1160 ENVVVVTIQY1170 RLGIWGFFST 1180 GDEHSRGNWG1190 HLDQVAALRW1200 VQDNIASFGG1210 NPGSVTIFGE1220 SAGGESVSVL 1230 VLSPLAKNLF1240 HRAISESGVA1250 LTSVLVKKGD1260 VKPLAEQIAI1270 TAGCKTTTSA 1280 VMVHCLRQKT1290 EEELLETTLK1300 MKFLSLDLQG1310 DPRESQPLLG1320 TVIDGMLLLK 1330 TPEELQAERN1340 FHTVPYMVGI1350 NKQEFGWLIP1360 MLMSYPLSEG1371 QLDQKTAMSL 1381 LWKSYPLVCI1391 AKELIPEATE1401 KYLGGTDDTV1411 KKKDLFLDLI1421 ADVMFGVPSV 1431 IVARNHRDAG1441 APTYMYEFQY1451 RPSFSSDMKP1461 KTVIGDHGDE1471 LFSVFGAPFL 1481 KEGASEEEIR1491 LSKMVMKFWA1501 NFARNGNPNG1511 EGLPHWPEYN1521 QKEGYLQIGA 1531 NTQAAQKLKD1541 KEVAFWTNLF1551 AK
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| PDB ID: 2DQZ Crystal structure of human carboxylesterase in complex with homatropine, coenzyme A, and palmitate | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [3] |
| PDB Sequence |
SSPPVVDTVH
1030 GKVLGKFVSL1040 EGFAQPVAIF1050 LGIPFAKPPL1060 GPLRFTPPQP1070 AEPWSFVKNA 1080 TSYPPMCTQD1090 PKAGQLLSEL1100 FTNRKENIPL1110 KLSEDCLYLN1120 IYTPADLTKK 1130 NRLPVMVWIH1140 GGGLMVGAAS1150 TYDGLALAAH1160 ENVVVVTIQY1170 RLGIWGFFST 1180 GDEHSRGNWG1190 HLDQVAALRW1200 VQDNIASFGG1210 NPGSVTIFGE1220 SAGGESVSVL 1230 VLSPLAKNLF1240 HRAISESGVA1250 LTSVLVKKGD1260 VKPLAEQIAI1270 TAGCKTTTSA 1280 VMVHCLRQKT1290 EEELLETTLK1300 MKFLSLDLQG1310 DPRESQPLLG1320 TVIDGMLLLK 1330 TPEELQAERN1340 FHTVPYMVGI1350 NKQEFGWLIP1360 MLMSYPLSEG1371 QLDQKTAMSL 1381 LWKSYPLVCI1391 AKELIPEATE1401 KYLGGTDDTV1411 KKKDLFLDLI1421 ADVMFGVPSV 1431 IVARNHRDAG1441 APTYMYEFQY1451 RPSFSSDMKP1461 KTVIGDHGDE1471 LFSVFGAPFL 1481 KEGASEEEIR1491 LSKMVMKFWA1501 NFARNGNPNG1511 EGLPHWPEYN1521 QKEGYLQIGA 1531 NTQAAQKLKD1541 KEVAFWTNLF1551 AK
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| PDB ID: 2DQY Crystal structure of human carboxylesterase in complex with cholate and palmitate | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [3] |
| PDB Sequence |
SSPPVVDTVH
1030 GKVLGKFVSL1040 EGFAQPVAIF1050 LGIPFAKPPL1060 GPLRFTPPQP1070 AEPWSFVKNA 1080 TSYPPMCTQD1090 PKAGQLLSEL1100 FTNRKENIPL1110 KLSEDCLYLN1120 IYTPADLTKK 1130 NRLPVMVWIH1140 GGGLMVGAAS1150 TYDGLALAAH1160 ENVVVVTIQY1170 RLGIWGFFST 1180 GDEHSRGNWG1190 HLDQVAALRW1200 VQDNIASFGG1210 NPGSVTIFGE1220 SAGGESVSVL 1230 VLSPLAKNLF1240 HRAISESGVA1250 LTSVLVKKGD1260 VKPLAEQIAI1270 TAGCKTTTSA 1280 VMVHCLRQKT1290 EEELLETTLK1300 MKFLSLDLQG1310 DPRESQPLLG1320 TVIDGMLLLK 1330 TPEELQAERN1340 FHTVPYMVGI1350 NKQEFGWLIP1360 MLMSYPLSEG1371 QLDQKTAMSL 1381 LWKSYPLVCI1391 AKELIPEATE1401 KYLGGTDDTV1411 KKKDLFLDLI1421 ADVMFGVPSV 1431 IVARNHRDAG1441 APTYMYEFQY1451 RPSFSSDMKP1461 KTVIGDHGDE1471 LFSVFGAPFL 1481 KEGASEEEIR1491 LSKMVMKFWA1501 NFARNGNPNG1511 EGLPHWPEYN1521 QKEGYLQIGA 1531 NTQAAQKLKD1541 KEVAFWTNLF1551 AK
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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 .SIA or .SIA2 or .SIA3 or :3SIA;style chemicals stick;color identity;select .A:1051 or .A:1052 or .A:1053 or .A:1077 or .A:1078 or .A:1079 or .A:1080 or .A:1081 or .A:1082 or .A:1084 or .A:1118; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2DR0 Crystal structure of human carboxylesterase in complex with taurocholate | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [3] |
| PDB Sequence |
SSPPVVDTVH
1030 GKVLGKFVSL1040 EGFAQPVAIF1050 LGIPFAKPPL1060 GPLRFTPPQP1070 AEPWSFVKNA 1080 TSYPPMCTQD1090 PKAGQLLSEL1100 FTNRKENIPL1110 KLSEDCLYLN1120 IYTPADLTKK 1130 NRLPVMVWIH1140 GGGLMVGAAS1150 TYDGLALAAH1160 ENVVVVTIQY1170 RLGIWGFFST 1180 GDEHSRGNWG1190 HLDQVAALRW1200 VQDNIASFGG1210 NPGSVTIFGE1220 SAGGESVSVL 1230 VLSPLAKNLF1240 HRAISESGVA1250 LTSVLVKKGD1260 VKPLAEQIAI1270 TAGCKTTTSA 1280 VMVHCLRQKT1290 EEELLETTLK1300 MKFLSLDLQG1310 DPRESQPLLG1320 TVIDGMLLLK 1330 TPEELQAERN1340 FHTVPYMVGI1350 NKQEFGWLIP1360 MLMSYPLSEG1371 QLDQKTAMSL 1381 LWKSYPLVCI1391 AKELIPEATE1401 KYLGGTDDTV1411 KKKDLFLDLI1421 ADVMFGVPSV 1431 IVARNHRDAG1441 APTYMYEFQY1451 RPSFSSDMKP1461 KTVIGDHGDE1471 LFSVFGAPFL 1481 KEGASEEEIR1491 LSKMVMKFWA1501 NFARNGNPNG1511 EGLPHWPEYN1521 QKEGYLQIGA 1531 NTQAAQKLKD1541 KEVAFWTNLF1551 AK
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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 .SIA or .SIA2 or .SIA3 or :3SIA;style chemicals stick;color identity;select .A:1051 or .A:1052 or .A:1053 or .A:1078 or .A:1079 or .A:1080 or .A:1081 or .A:1082 or .A:1083 or .A:1084 or .A:1085 or .A:1118; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2HRQ Crystal structure of Human Liver Carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Soman (GD) | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [4] |
| PDB Sequence |
SSPPVVDTVH
1030 GKVLGKFVSL1040 EGFAQPVAIF1050 LGIPFAKPPL1060 GPLRFTPPQP1070 AEPWSFVKNA 1080 TSYPPMCTQD1090 PKAGQLLSEL1100 FTNRKENIPL1110 KLSEDCLYLN1120 IYTPADLTKK 1130 NRLPVMVWIH1140 GGGLMVGAAS1150 TYDGLALAAH1160 ENVVVVTIQY1170 RLGIWGFFST 1180 GDEHSRGNWG1190 HLDQVAALRW1200 VQDNIASFGG1210 NPGSVTIFGE1220 SAGGESVSVL 1230 VLSPLAKNLF1240 HRAISESGVA1250 LTSVLVKKGD1260 VKPLAEQIAI1270 TAGCKTTTSA 1280 VMVHCLRQKT1290 EEELLETTLK1300 MKFLSLDLQG1310 DPRESQPLLG1320 TVIDGMLLLK 1330 TPEELQAERN1340 FHTVPYMVGI1350 NKQEFGWLIP1360 MLMSYPLSEG1371 QLDQKTAMSL 1381 LWKSYPLVCI1391 AKELIPEATE1401 KYLGGTDDTV1411 KKKDLFLDLI1421 ADVMFGVPSV 1431 IVARNHRDAG1441 APTYMYEFQY1451 RPSFSSDMKP1461 KTVIGDHGDE1471 LFSVFGAPFL 1481 KEGASEEEIR1491 LSKMVMKFWA1501 NFARNGNPNG1511 EGLPHWPEYN1521 QKEGYLQIGA 1531 NTQAAQKLKD1541 KEVAFWTNLF1551 AK
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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 .SIA or .SIA2 or .SIA3 or :3SIA;style chemicals stick;color identity;select .A:1051 or .A:1052 or .A:1053 or .A:1054 or .A:1077 or .A:1078 or .A:1079 or .A:1080 or .A:1081 or .A:1082 or .A:1118; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2HRR Crystal structure of Human Liver Carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Tabun (GA) | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [4] |
| PDB Sequence |
SSPPVVDTVH
1030 GKVLGKFVSL1040 EGFAQPVAIF1050 LGIPFAKPPL1060 GPLRFTPPQP1070 AEPWSFVKNA 1080 TSYPPMCTQD1090 PKAGQLLSEL1100 FTNRKENIPL1110 KLSEDCLYLN1120 IYTPADLTKK 1130 NRLPVMVWIH1140 GGGLMVGAAS1150 TYDGLALAAH1160 ENVVVVTIQY1170 RLGIWGFFST 1180 GDEHSRGNWG1190 HLDQVAALRW1200 VQDNIASFGG1210 NPGSVTIFGE1220 SAGGESVSVL 1230 VLSPLAKNLF1240 HRAISESGVA1250 LTSVLVKKGD1260 VKPLAEQIAI1270 TAGCKTTTSA 1280 VMVHCLRQKT1290 EEELLETTLK1300 MKFLSLDLQG1310 DPRESQPLLG1320 TVIDGMLLLK 1330 TPEELQAERN1340 FHTVPYMVGI1350 NKQEFGWLIP1360 MLMSYPLSEG1371 QLDQKTAMSL 1381 LWKSYPLVCI1391 AKELIPEATE1401 KYLGGTDDTV1411 KKKDLFLDLI1421 ADVMFGVPSV 1431 IVARNHRDAG1441 APTYMYEFQY1451 RPSFSSDMKP1461 KTVIGDHGDE1471 LFSVFGAPFL 1481 KEGASEEEIR1491 LSKMVMKFWA1501 NFARNGNPNG1511 EGLPHWPEYN1521 QKEGYLQIGA 1531 NTQAAQKLKD1541 KEVAFWTNLF1551 AK
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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 .SIA or .SIA2 or .SIA3 or :3SIA;style chemicals stick;color identity;select .A:1051 or .A:1052 or .A:1053 or .A:1054 or .A:1078 or .A:1079 or .A:1080 or .A:1082 or .A:1083 or .A:1084 or .A:1085 or .A:1118; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1YA8 Crystal Structure of Human Liver Carboxylesterase in complex with cleavage products of Mevastatin | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [5] |
| PDB Sequence |
SSPPVVDTVH
30 GKVLGKFVSL40 EGFAQPVAIF50 LGIPFAKPPL60 GPLRFTPPQP70 AEPWSFVKNA 80 TSYPPMCTQD90 PKAGQLLSEL100 FTNRKENIPL110 KLSEDCLYLN120 IYTPADLTKK 130 NRLPVMVWIH140 GGGLMVGAAS150 TYDGLALAAH160 ENVVVVTIQY170 RLGIWGFFST 180 GDEHSRGNWG190 HLDQVAALRW200 VQDNIASFGG210 NPGSVTIFGE220 SAGGESVSVL 230 VLSPLAKNLF240 HRAISESGVA250 LTSVLVKKGD260 VKPLAEQIAI270 TAGCKTTTSA 280 VMVHCLRQKT290 EEELLETTLK300 MKFLSLDLQG310 DPRESQPLLG320 TVIDGMLLLK 330 TPEELQAERN340 FHTVPYMVGI350 NKQEFGWLIP360 MLMSYPLSEG371 QLDQKTAMSL 381 LWKSYPLVCI391 AKELIPEATE401 KYLGGTDDTV411 KKKDLFLDLI421 ADVMFGVPSV 431 IVARNHRDAG441 APTYMYEFQY451 RPSFSSDMKP461 KTVIGDHGDE471 LFSVFGAPFL 481 KEGASEEEIR491 LSKMVMKFWA501 NFARNGNPNG511 EGLPHWPEYN521 QKEGYLQIGA 531 NTQAAQKLKD541 KEVAFWTNLF551 AK
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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 .SIA or .SIA2 or .SIA3 or :3SIA;style chemicals stick;color identity;select .A:51 or .A:52 or .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:84 or .A:85 or .A:118; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1YAH Crystal Structure of Human Liver Carboxylesterase complexed to Etyl Acetate; A Fatty Acid Ethyl Ester Analogue | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [5] |
| PDB Sequence |
SSPPVVDTVH
30 GKVLGKFVSL40 EGFAQPVAIF50 LGIPFAKPPL60 GPLRFTPPQP70 AEPWSFVKNA 80 TSYPPMCTQD90 PKAGQLLSEL100 FTNRKENIPL110 KLSEDCLYLN120 IYTPADLTKK 130 NRLPVMVWIH140 GGGLMVGAAS150 TYDGLALAAH160 ENVVVVTIQY170 RLGIWGFFST 180 GDEHSRGNWG190 HLDQVAALRW200 VQDNIASFGG210 NPGSVTIFGE220 SAGGESVSVL 230 VLSPLAKNLF240 HRAISESGVA250 LTSVLVKKGD260 VKPLAEQIAI270 TAGCKTTTSA 280 VMVHCLRQKT290 EEELLETTLK300 MKFLSLDLQG310 DPRESQPLLG320 TVIDGMLLLK 330 TPEELQAERN340 FHTVPYMVGI350 NKQEFGWLIP360 MLMSYPLSEG371 QLDQKTAMSL 381 LWKSYPLVCI391 AKELIPEATE401 KYLGGTDDTV411 KKKDLFLDLI421 ADVMFGVPSV 431 IVARNHRDAG441 APTYMYEFQY451 RPSFSSDMKP461 KTVIGDHGDE471 LFSVFGAPFL 481 KEGASEEEIR491 LSKMVMKFWA501 NFARNGNPNG511 EGLPHWPEYN521 QKEGYLQIGA 531 NTQAAQKLKD541 KEVAFWTNLF551 AK
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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 .SIA or .SIA2 or .SIA3 or :3SIA;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:118 or .A:182 or .A:184 or .A:262 or .A:277 or .A:278 or .A:279; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1YA4 Crystal Structure of Human Liver Carboxylesterase 1 in complex with tamoxifen | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [5] |
| PDB Sequence |
SPPVVDTVHG
31 KVLGKFVSLE41 GFAQPVAIFL51 GIPFAKPPLG61 PLRFTPPQPA71 EPWSFVKNAT 81 SYPPMCTQDP91 KAGQLLSELF101 TNRKENIPLK111 LSEDCLYLNI121 YTPADLTKKN 131 RLPVMVWIHG141 GGLMVGAAST151 YDGLALAAHE161 NVVVVTIQYR171 LGIWGFFSTG 181 DEHSRGNWGH191 LDQVAALRWV201 QDNIASFGGN211 PGSVTIFGES221 AGGESVSVLV 231 LSPLAKNLFH241 RAISESGVAL251 TSVLVKKGDV261 KPLAEQIAIT271 AGCKTTTSAV 281 MVHCLRQKTE291 EELLETTLKM301 KFLSLDLQGD311 PRESQPLLGT321 VIDGMLLLKT 331 PEELQAERNF341 HTVPYMVGIN351 KQEFGWLIPM361 LMSYPLSEGQ372 LDQKTAMSLL 382 WKSYPLVCIA392 KELIPEATEK402 YLGGTDDTVK412 KKDLFLDLIA422 DVMFGVPSVI 432 VARNHRDAGA442 PTYMYEFQYR452 PSFSSDMKPK462 TVIGDHGDEL472 FSVFGAPFLK 482 EGASEEEIRL492 SKMVMKFWAN502 FARNGNPNGE512 GLPHWPEYNQ522 KEGYLQIGAN 532 TQAAQKLKDK542 EVAFWTNLFA552 K
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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 .SIA or .SIA2 or .SIA3 or :3SIA;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:118; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1YAJ Crystal Structure of Human Liver Carboxylesterase in complex with benzil | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [5] |
| PDB Sequence |
SSPPVVDTVH
30 GKVLGKFVSL40 EGFAQPVAIF50 LGIPFAKPPL60 GPLRFTPPQP70 AEPWSFVKNA 80 TSYPPMCTQD90 PKAGQLLSEL100 FTNRKENIPL110 KLSEDCLYLN120 IYTPADLTKK 130 NRLPVMVWIH140 GGGLMVGAAS150 TYDGLALAAH160 ENVVVVTIQY170 RLGIWGFFST 180 GDEHSRGNWG190 HLDQVAALRW200 VQDNIASFGG210 NPGSVTIFGE220 SAGGESVSVL 230 VLSPLAKNLF240 HRAISESGVA250 LTSVLVKKGD260 VKPLAEQIAI270 TAGCKTTTSA 280 VMVHCLRQKT290 EEELLETTLK300 MKFLSLDLQG310 DPRESQPLLG320 TVIDGMLLLK 330 TPEELQAERN340 FHTVPYMVGI350 NKQEFGWLIP360 MLMSYPLSEG371 QLDQKTAMSL 381 LWKSYPLVCI391 AKELIPEATE401 KYLGGTDDTV411 KKKDLFLDLI421 ADVMFGVPSV 431 IVARNHRDAG441 APTYMYEFQY451 RPSFSSDMKP461 KTVIGDHGDE471 LFSVFGAPFL 481 KEGASEEEIR491 LSKMVMKFWA501 NFARNGNPNG511 EGLPHWPEYN521 QKEGYLQIGA 531 NTQAAQKLKD541 KEVAFWTNLF551 AK
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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 .SIA or .SIA2 or .SIA3 or :3SIA;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:85 or .A:118 or .A:182 or .A:184 or .A:262 or .A:278 or .A:279; 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 | Crystal structure of human carboxylesterase 1 complexed with the Alzheimer's drug tacrine: from binding promiscuity to selective inhibition. Chem Biol. 2003 Apr;10(4):341-9. | ||||
| REF 2 | Structural basis of heroin and cocaine metabolism by a promiscuous human drug-processing enzyme. Nat Struct Biol. 2003 May;10(5):349-56. | ||||
| REF 3 | Multisite promiscuity in the processing of endogenous substrates by human carboxylesterase 1. J Mol Biol. 2006 Oct 13;363(1):201-14. | ||||
| REF 4 | Crystal structures of human carboxylesterase 1 in covalent complexes with the chemical warfare agents soman and tabun. Biochemistry. 2007 May 1;46(17):5063-71. | ||||
| REF 5 | Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil. J Mol Biol. 2005 Sep 9;352(1):165-77. | ||||
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