Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T66665 | Target Info | |||
| Target Name | Prostaglandin G/H synthase 2 (COX-2) | ||||
| Synonyms | Prostaglandin-endoperoxide synthase 2; Prostaglandin H2 synthase 2; PHS II; PGHS-2; PGH synthase 2; Cyclooxygenase-2; COX2; COX-2 | ||||
| Target Type | Successful Target | ||||
| Gene Name | PTGS2 | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Salicyclic acid | Ligand Info | |||||
| Structure Description | The Crystal Structure of Salicylate Bound to Human Cyclooxygenase-2 | PDB:5F1A | ||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [1] |
| PDB Sequence |
KNPCCSHPCQ
42 NRGVCMSVGF52 DQYKCDCTRT62 GFYGENCSTP72 EFLTRIKLFL82 KPTPNTVHYI 92 LTHFKGFWNV102 VNNIPFLRNA111 IMSYVLTSRS121 HLIDSPPTYN131 ADYGYKSWEA 141 FSNLSYYTRA151 LPPVPDDCPT161 PLGVKGKKQL171 PDSNEIVEKL181 LLRRKFIPDP 191 QGSNMMFAFF201 AQHFTHQFFK211 TDHKRGPAFT221 NGLGHGVDLN231 HIYGETLARQ 241 RKLRLFKDGK251 MKYQIIDGEM261 YPPTVKDTQA271 EMIYPPQVPE281 HLRFAVGQEV 291 FGLVPGLMMY301 ATIWLREHNR311 VCDVLKQEHP321 EWGDEQLFQT331 SRLILIGETI 341 KIVIEDYVQH351 LSGYHFKLKF361 DPELLFNKQF371 QYQNRIAAEF381 NTLYHWHPLL 391 PDTFQIHDQK401 YNYQQFIYNN411 SILLEHGITQ421 FVESFTRQIA431 GRVAGGRNVP 441 PAVQKVSQAS451 IDQSRQMKYQ461 SFNEYRKRFM471 LKPYESFEEL481 TGEKEMSAEL 491 EALYGDIDAV501 ELYPALLVEK511 PRPDAIFGET521 MVEVGAPFSL531 KGLMGNVICS 541 PAYWKPSTFG551 GEVGFQIINT561 ASIQSLICNN571 VKGCPFTSFS581 VPD |
|||||
|
|
||||||
| Ligand Name: Mefenamic acid | Ligand Info | |||||
| Structure Description | The Structure of Mefenamic Acid Bound to Human Cyclooxygenase-2 | PDB:5IKR | ||||
| Method | X-ray diffraction | Resolution | 2.34 Å | Mutation | No | [2] |
| PDB Sequence |
NPCCSHPCQN
43 RGVCMSVGFD53 QYKCDCTRTG63 FYGENCSTPE73 FLTRIKLFLK83 PTPNTVHYIL 93 THFKGFWNVV103 NNIPFLRNAI112 MSYVLTSRSH122 LIDSPPTYNA132 DYGYKSWEAF 142 SNLSYYTRAL152 PPVPDDCPTP162 LGVKGKKQLP172 DSNEIVEKLL182 LRRKFIPDPQ 192 GSNMMFAFFA202 QHFTHQFFKT212 DHKRGPAFTN222 GLGHGVDLNH232 IYGETLARQR 242 KLRLFKDGKM252 KYQIIDGEMY262 PPTVKDTQAE272 MIYPPQVPEH282 LRFAVGQEVF 292 GLVPGLMMYA302 TIWLREHNRV312 CDVLKQEHPE322 WGDEQLFQTS332 RLILIGETIK 342 IVIEDYVQHL352 SGYHFKLKFD362 PELLFNKQFQ372 YQNRIAAEFN382 TLYHWHPLLP 392 DTFQIHDQKY402 NYQQFIYNNS412 ILLEHGITQF422 VESFTRQIAG432 RVAGGRNVPP 442 AVQKVSQASI452 DQSRQMKYQS462 FNEYRKRFML472 KPYESFEELT482 GEKEMSAELE 492 ALYGDIDAVE502 LYPALLVEKP512 RPDAIFGETM522 VEVGAPFSLK532 GLMGNVICSP 542 AYWKPSTFGG552 EVGFQIINTA562 SIQSLICNNV572 KGCPFTSFSV582 P |
|||||
|
|
MET113
4.859
VAL116
3.364
ARG120
3.090
PHE205
4.772
VAL344
4.809
TYR348
3.093
VAL349
1.966
LEU352
2.227
SER353
2.935
TYR355
2.457
LEU359
3.497
PHE381
3.369
|
|||||
| Ligand Name: Meclofenamic acid | Ligand Info | |||||
| Structure Description | The Structure of Meclofenamic Acid Bound to Human Cyclooxygenase-2 | PDB:5IKQ | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [2] |
| PDB Sequence |
NPCCSHPCQN
43 RGVCMSVGFD53 QYKCDCTRTG63 FYGENCSTPE73 FLTRIKLFLK83 PTPNTVHYIL 93 THFKGFWNVV103 NNIPFLRNAI112 MSYVLTSRSH122 LIDSPPTYNA132 DYGYKSWEAF 142 SNLSYYTRAL152 PPVPDDCPTP162 LGVKGKKQLP172 DSNEIVEKLL182 LRRKFIPDPQ 192 GSNMMFAFFA202 QHFTHQFFKT212 DHKRGPAFTN222 GLGHGVDLNH232 IYGETLARQR 242 KLRLFKDGKM252 KYQIIDGEMY262 PPTVKDTQAE272 MIYPPQVPEH282 LRFAVGQEVF 292 GLVPGLMMYA302 TIWLREHNRV312 CDVLKQEHPE322 WGDEQLFQTS332 RLILIGETIK 342 IVIEDYVQHL352 SGYHFKLKFD362 PELLFNKQFQ372 YQNRIAAEFN382 TLYHWHPLLP 392 DTFQIHDQKY402 NYQQFIYNNS412 ILLEHGITQF422 VESFTRQIAG432 RVAGGRNVPP 442 AVQKVSQASI452 DQSRQMKYQS462 FNEYRKRFML472 KPYESFEELT482 GEKEMSAELE 492 ALYGDIDAVE502 LYPALLVEKP512 RPDAIFGETM522 VEVGAPFSLK532 GLMGNVICSP 542 AYWKPSTFGG552 EVGFQIINTA562 SIQSLICNNV572 KGCPFTSFSV582 P |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JMS or .JMS2 or .JMS3 or :3JMS;style chemicals stick;color identity;select .A:116 or .A:120 or .A:205 or .A:348 or .A:349 or .A:352 or .A:353 or .A:355 or .A:359 or .A:381 or .A:384 or .A:385 or .A:387 or .A:518 or .A:522 or .A:523 or .A:526 or .A:527 or .A:530 or .A:531 or .A:534; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL116
2.930
ARG120
2.899
PHE205
4.695
TYR348
2.718
VAL349
2.521
LEU352
2.731
SER353
2.606
TYR355
2.341
LEU359
4.351
PHE381
3.051
LEU384
2.556
|
|||||
| Ligand Name: Flufenamic acid | Ligand Info | |||||
| Structure Description | The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2 | PDB:5IKV | ||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [2] |
| PDB Sequence |
NPCCSHPCQN
43 RGVCMSVGFD53 QYKCDCTRTG63 FYGENCSTPE73 FLTRIKLFLK83 PTPNTVHYIL 93 THFKGFWNVV103 NNIPFLRNAI112 MSYVLTSRSH122 LIDSPPTYNA132 DYGYKSWEAF 142 SNLSYYTRAL152 PPVPDDCPTP162 LGVKGKKQLP172 DSNEIVEKLL182 LRRKFIPDPQ 192 GSNMMFAFFA202 QHFTHQFFKT212 DHKRGPAFTN222 GLGHGVDLNH232 IYGETLARQR 242 KLRLFKDGKM252 KYQIIDGEMY262 PPTVKDTQAE272 MIYPPQVPEH282 LRFAVGQEVF 292 GLVPGLMMYA302 TIWLREHNRV312 CDVLKQEHPE322 WGDEQLFQTS332 RLILIGETIK 342 IVIEDYVQHL352 SGYHFKLKFD362 PELLFNKQFQ372 YQNRIAAEFN382 TLYHWHPLLP 392 DTFQIHDQKY402 NYQQFIYNNS412 ILLEHGITQF422 VESFTRQIAG432 RVAGGRNVPP 442 AVQKVSQASI452 DQSRQMKYQS462 FNEYRKRFML472 KPYESFEELT482 GEKEMSAELE 492 ALYGDIDAVE502 LYPALLVEKP512 RPDAIFGETM522 VEVGAPFSLK532 GLMGNVICSP 542 AYWKPSTFGG552 EVGFQIINTA562 SIQSLICNNV572 KGCPFTSFSV582 P |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FLF or .FLF2 or .FLF3 or :3FLF;style chemicals stick;color identity;select .A:113 or .A:116 or .A:120 or .A:205 or .A:348 or .A:349 or .A:352 or .A:353 or .A:355 or .A:359 or .A:381 or .A:384 or .A:385 or .A:387 or .A:518 or .A:522 or .A:523 or .A:526 or .A:527 or .A:530 or .A:531 or .A:534; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET113
4.168
VAL116
3.009
ARG120
3.290
PHE205
4.764
TYR348
3.261
VAL349
2.416
LEU352
2.297
SER353
2.945
TYR355
2.397
LEU359
3.061
PHE381
3.192
|
|||||
| Ligand Name: Rofecoxib | Ligand Info | |||||
| Structure Description | The Structure of Vioxx Bound to Human COX-2 | PDB:5KIR | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [3] |
| PDB Sequence |
NPCCSHPCQN
43 RGVCMSVGFD53 QYKCDCTRTG63 FYGENCSTPE73 FLTRIKLFLK83 PTPNTVHYIL 93 THFKGFWNVV103 NNIPFLRNAI112 MSYVLTSRSH122 LIDSPPTYNA132 DYGYKSWEAF 142 SNLSYYTRAL152 PPVPDDCPTP162 LGVKGKKQLP172 DSNEIVEKLL182 LRRKFIPDPQ 192 GSNMMFAFFA202 QHFTHQFFKT212 DHKRGPAFTN222 GLGHGVDLNH232 IYGETLARQR 242 KLRLFKDGKM252 KYQIIDGEMY262 PPTVKDTQAE272 MIYPPQVPEH282 LRFAVGQEVF 292 GLVPGLMMYA302 TIWLREHNRV312 CDVLKQEHPE322 WGDEQLFQTS332 RLILIGETIK 342 IVIEDYVNHL352 SGYHFKLKFD362 PELLFNKQFQ372 YQNRIAAEFN382 TLYHWHPLLP 392 DTFQIHDQKY402 NYQQFIYNNS412 ILLEHGITQF422 VESFTRQIAG432 RVAGGRNVPP 442 AVQKVSQASI452 DQSRQMKYQS462 FNEYRKRFML472 KPYESFEELT482 GEKEMSAELE 492 ALYGDIDAVE502 LYPALLVEKP512 RPDAIFGETM522 VEVGAPFSLK532 GLMGNVICSP 542 AYWKPSTFGG552 EVGFQIINTA562 SIQSLICNNV572 KGCPFTSFSV582 P |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RCX or .RCX2 or .RCX3 or :3RCX;style chemicals stick;color identity;select .A:90 or .A:94 or .A:120 or .A:192 or .A:348 or .A:349 or .A:352 or .A:353 or .A:354 or .A:355 or .A:359 or .A:381 or .A:384 or .A:385 or .A:387 or .A:513 or .A:516 or .A:517 or .A:518 or .A:522 or .A:523 or .A:526 or .A:527 or .A:530 or .A:531; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS90
2.657
THR94
4.975
ARG120
4.695
GLN192
3.091
TYR348
4.497
VAL349
2.930
LEU352
2.763
SER353
2.821
GLY354
4.206
TYR355
3.260
LEU359
4.246
PHE381
4.813
LEU384
4.701
|
|||||
| Ligand Name: Polyacrylic acid | Ligand Info | |||||
| Structure Description | The Crystal Structure of Aspirin Acetylated Human Cyclooxygenase-2 | PDB:5F19 | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [1] |
| PDB Sequence |
KNPCCSHPCQ
42 NRGVCMSVGF52 DQYKCDCTRT62 GFYGENCSTP72 EFLTRIKLFL82 KPTPNTVHYI 92 LTHFKGFWNV102 VNNIPFLRNA111 IMSYVLTSRS121 HLIDSPPTYN131 ADYGYKSWEA 141 FSNLSYYTRA151 LPPVPDDCPT161 PLGVKGKKQL171 PDSNEIVEKL181 LLRRKFIPDP 191 QGSNMMFAFF201 AQHFTHQFFK211 TDHKRGPAFT221 NGLGHGVDLN231 HIYGETLARQ 241 RKLRLFKDGK251 MKYQIIDGEM261 YPPTVKDTQA271 EMIYPPQVPE281 HLRFAVGQEV 291 FGLVPGLMMY301 ATIWLREHNR311 VCDVLKQEHP321 EWGDEQLFQT331 SRLILIGETI 341 KIVIEDYVQH351 LSGYHFKLKF361 DPELLFNKQF371 QYQNRIAAEF381 NTLYHWHPLL 391 PDTFQIHDQK401 YNYQQFIYNN411 SILLEHGITQ421 FVESFTRQIA431 GRVAGGRNVP 441 PAVQKVSQAS451 IDQSRQMKYQ461 SFNEYRKRFM471 LKPYESFEEL481 TGEKEMSAEL 491 EALYGDIDAV501 ELYPALLVEK511 PRPDAIFGET521 MVEVGAPFLK532 GLMGNVICSP 542 AYWKPSTFGG552 EVGFQIINTA562 SIQSLICNNV572 KGCPFTSFSV582 P |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AKR or .AKR2 or .AKR3 or :3AKR;style chemicals stick;color identity;select .A:212 or .A:213 or .A:214 or .A:215 or .A:222 or .A:237 or .A:239 or .A:240 or .A:243 or .A:270 or .A:271 or .A:272 or .A:274 or .A:291; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: O-acetylserine | Ligand Info | |||||
| Structure Description | The Crystal Structure of Aspirin Acetylated Human Cyclooxygenase-2 | PDB:5F19 | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [1] |
| PDB Sequence |
KNPCCSHPCQ
42 NRGVCMSVGF52 DQYKCDCTRT62 GFYGENCSTP72 EFLTRIKLFL82 KPTPNTVHYI 92 LTHFKGFWNV102 VNNIPFLRNA111 IMSYVLTSRS121 HLIDSPPTYN131 ADYGYKSWEA 141 FSNLSYYTRA151 LPPVPDDCPT161 PLGVKGKKQL171 PDSNEIVEKL181 LLRRKFIPDP 191 QGSNMMFAFF201 AQHFTHQFFK211 TDHKRGPAFT221 NGLGHGVDLN231 HIYGETLARQ 241 RKLRLFKDGK251 MKYQIIDGEM261 YPPTVKDTQA271 EMIYPPQVPE281 HLRFAVGQEV 291 FGLVPGLMMY301 ATIWLREHNR311 VCDVLKQEHP321 EWGDEQLFQT331 SRLILIGETI 341 KIVIEDYVQH351 LSGYHFKLKF361 DPELLFNKQF371 QYQNRIAAEF381 NTLYHWHPLL 391 PDTFQIHDQK401 YNYQQFIYNN411 SILLEHGITQ421 FVESFTRQIA431 GRVAGGRNVP 441 PAVQKVSQAS451 IDQSRQMKYQ461 SFNEYRKRFM471 LKPYESFEEL481 TGEKEMSAEL 491 EALYGDIDAV501 ELYPALLVEK511 PRPDAIFGET521 MVEVGAPFLK532 GLMGNVICSP 542 AYWKPSTFGG552 EVGFQIINTA562 SIQSLICNNV572 KGCPFTSFSV582 P |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OAS or .OAS2 or .OAS3 or :3OAS;style chemicals stick;color identity;select .A:205 or .A:344 or .A:348 or .A:349 or .A:381 or .A:385 or .A:526 or .A:527 or .A:528 or .A:529 or .A:531 or .A:532 or .A:533 or .A:534; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: B-Octylglucoside | Ligand Info | |||||
| Structure Description | The Structure of Mefenamic Acid Bound to Human Cyclooxygenase-2 | PDB:5IKR | ||||
| Method | X-ray diffraction | Resolution | 2.34 Å | Mutation | No | [2] |
| PDB Sequence |
NPCCSHPCQN
43 RGVCMSVGFD53 QYKCDCTRTG63 FYGENCSTPE73 FLTRIKLFLK83 PTPNTVHYIL 93 THFKGFWNVV103 NNIPFLRNAI112 MSYVLTSRSH122 LIDSPPTYNA132 DYGYKSWEAF 142 SNLSYYTRAL152 PPVPDDCPTP162 LGVKGKKQLP172 DSNEIVEKLL182 LRRKFIPDPQ 192 GSNMMFAFFA202 QHFTHQFFKT212 DHKRGPAFTN222 GLGHGVDLNH232 IYGETLARQR 242 KLRLFKDGKM252 KYQIIDGEMY262 PPTVKDTQAE272 MIYPPQVPEH282 LRFAVGQEVF 292 GLVPGLMMYA302 TIWLREHNRV312 CDVLKQEHPE322 WGDEQLFQTS332 RLILIGETIK 342 IVIEDYVQHL352 SGYHFKLKFD362 PELLFNKQFQ372 YQNRIAAEFN382 TLYHWHPLLP 392 DTFQIHDQKY402 NYQQFIYNNS412 ILLEHGITQF422 VESFTRQIAG432 RVAGGRNVPP 442 AVQKVSQASI452 DQSRQMKYQS462 FNEYRKRFML472 KPYESFEELT482 GEKEMSAELE 492 ALYGDIDAVE502 LYPALLVEKP512 RPDAIFGETM522 VEVGAPFSLK532 GLMGNVICSP 542 AYWKPSTFGG552 EVGFQIINTA562 SIQSLICNNV572 KGCPFTSFSV582 P |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:82 or .A:83 or .A:84 or .A:85 or .A:87 or .A:88 or .A:91 or .A:92 or .A:96 or .A:305 or .A:308 or .A:311 or .A:312 or .A:339 or .A:343 or .A:511 or .A:514 or .A:557 or .A:558 or .A:559 or .A:561 or .A:562 or .A:563 or .A:566 or .A:567 or .A:568 or .A:569 or .A:570 or .A:571; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU82
2.603
LYS83
4.352
PRO84
2.353
THR85
2.116
ASN87
2.147
THR88
2.150
TYR91
2.552
ILE92
2.607
PHE96
2.323
TRP305
4.699
GLU308
2.257
ARG311
2.485
VAL312
4.856
GLU339
2.372
ILE343
3.950
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Tolfenamic acid | Ligand Info | |||||
| Structure Description | The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2 | PDB:5IKT | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [2] |
| PDB Sequence |
NPCCSHPCQN
43 RGVCMSVGFD53 QYKCDCTRTG63 FYGENCSTPE73 FLTRIKLFLK83 PTPNTVHYIL 93 THFKGFWNVV103 NNIPFLRNAI112 MSYVLTSRSH122 LIDSPPTYNA132 DYGYKSWEAF 142 SNLSYYTRAL152 PPVPDDCPTP162 LGVKGKKQLP172 DSNEIVEKLL182 LRRKFIPDPQ 192 GSNMMFAFFA202 QHFTHQFFKT212 DHKRGPAFTN222 GLGHGVDLNH232 IYGETLARQR 242 KLRLFKDGKM252 KYQIIDGEMY262 PPTVKDTQAE272 MIYPPQVPEH282 LRFAVGQEVF 292 GLVPGLMMYA302 TIWLREHNRV312 CDVLKQEHPE322 WGDEQLFQTS332 RLILIGETIK 342 IVIEDYVQHL352 SGYHFKLKFD362 PELLFNKQFQ372 YQNRIAAEFN382 TLYHWHPLLP 392 DTFQIHDQKY402 NYQQFIYNNS412 ILLEHGITQF422 VESFTRQIAG432 RVAGGRNVPP 442 AVQKVSQASI452 DQSRQMKYQS462 FNEYRKRFML472 KPYESFEELT482 GEKEMSAELE 492 ALYGDIDAVE502 LYPALLVEKP512 RPDAIFGETM522 VEVGAPFSLK532 GLMGNVICSP 542 AYWKPSTFGG552 EVGFQIINTA562 SIQSLICNNV572 KGCPFTSFSV582 P |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TLF or .TLF2 or .TLF3 or :3TLF;style chemicals stick;color identity;select .A:116 or .A:120 or .A:205 or .A:348 or .A:349 or .A:352 or .A:353 or .A:355 or .A:359 or .A:381 or .A:384 or .A:385 or .A:387 or .A:518 or .A:522 or .A:523 or .A:524 or .A:526 or .A:527 or .A:528 or .A:530 or .A:531 or .A:534; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL116
3.421
ARG120
3.816
PHE205
4.623
TYR348
2.963
VAL349
2.370
LEU352
2.316
SER353
2.799
TYR355
2.352
LEU359
4.088
PHE381
3.276
LEU384
2.814
TYR385
1.816
|
|||||
| Ligand Name: PROTOPORPHYRIN IX CONTAINING CO | Ligand Info | |||||
| Structure Description | The Crystal Structure of Aspirin Acetylated Human Cyclooxygenase-2 | PDB:5F19 | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [1] |
| PDB Sequence |
KNPCCSHPCQ
42 NRGVCMSVGF52 DQYKCDCTRT62 GFYGENCSTP72 EFLTRIKLFL82 KPTPNTVHYI 92 LTHFKGFWNV102 VNNIPFLRNA111 IMSYVLTSRS121 HLIDSPPTYN131 ADYGYKSWEA 141 FSNLSYYTRA151 LPPVPDDCPT161 PLGVKGKKQL171 PDSNEIVEKL181 LLRRKFIPDP 191 QGSNMMFAFF201 AQHFTHQFFK211 TDHKRGPAFT221 NGLGHGVDLN231 HIYGETLARQ 241 RKLRLFKDGK251 MKYQIIDGEM261 YPPTVKDTQA271 EMIYPPQVPE281 HLRFAVGQEV 291 FGLVPGLMMY301 ATIWLREHNR311 VCDVLKQEHP321 EWGDEQLFQT331 SRLILIGETI 341 KIVIEDYVQH351 LSGYHFKLKF361 DPELLFNKQF371 QYQNRIAAEF381 NTLYHWHPLL 391 PDTFQIHDQK401 YNYQQFIYNN411 SILLEHGITQ421 FVESFTRQIA431 GRVAGGRNVP 441 PAVQKVSQAS451 IDQSRQMKYQ461 SFNEYRKRFM471 LKPYESFEEL481 TGEKEMSAEL 491 EALYGDIDAV501 ELYPALLVEK511 PRPDAIFGET521 MVEVGAPFLK532 GLMGNVICSP 542 AYWKPSTFGG552 EVGFQIINTA562 SIQSLICNNV572 KGCPFTSFSV582 P |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .COH or .COH2 or .COH3 or :3COH;style chemicals stick;color identity;select .A:148 or .A:199 or .A:200 or .A:202 or .A:203 or .A:206 or .A:207 or .A:210 or .A:211 or .A:212 or .A:214 or .A:294 or .A:295 or .A:382 or .A:385 or .A:386 or .A:387 or .A:388 or .A:390 or .A:391 or .A:395 or .A:404 or .A:408 or .A:444 or .A:447 or .A:450 or .A:451 or .A:454; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR148
3.687
ALA199
3.295
PHE200
3.608
ALA202
3.438
GLN203
3.386
THR206
4.969
HIS207
3.664
PHE210
3.465
LYS211
3.843
THR212
1.642
HIS214
2.878
LEU294
4.612
VAL295
3.913
ASN382
3.095
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry. Biochemistry. 2016 Mar 1;55(8):1226-38. | ||||
| REF 2 | Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone. J Biol Chem. 2016 Jul 15;291(29):15069-81. | ||||
| REF 3 | Crystal structure of rofecoxib bound to human cyclooxygenase-2. Acta Crystallogr F Struct Biol Commun. 2016 Oct 1;72(Pt 10):772-776. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.