UniProt Q05769
Prostaglandin G/H synthase 2 (Q05769)
Prostaglandin G/H synthase 2 (UniProt Q05769), EC 1.14.99.1: 93 experimental structures and 1 predicted model on GenesisL1, 14 ligands bound, 87 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- Q05769
- Protein
- Prostaglandin G/H synthase 2
- EC
- 1.14.99.1
- Experimental structures
- 93
- Predicted models
- 1
- Ligands
- 14
- Pockets
- 87 · 6 records with a druggable one
Structures
94 records of Q05769 in the MolNFT archive: 93 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1CVU | Crystal structure of arachidonic acid bound to the cyclooxygenase active site of COX-2 | x-ray diffraction | A, B | — | — |
| 1CVU | Crystal structure of arachidonic acid bound to the cyclooxygenase active site of COX-2 | x-ray diffraction | A, B | — | — |
| 1CX2 | Cyclooxygenase-2 (prostaglandin synthase-2) complexed with a selective inhibitor, sc-558 | x-ray diffraction | A, B, C, D | — | — |
| 1CX2 | Cyclooxygenase-2 (prostaglandin synthase-2) complexed with a selective inhibitor, sc-558 | x-ray diffraction | A, B, C, D | — | — |
| 1DDX | Crystal structure of a mixture of arachidonic acid and prostaglandin bound to the cyclooxygenase… | x-ray diffraction | A, B, C, D | — | — |
| 1DDX | Crystal structure of a mixture of arachidonic acid and prostaglandin bound to the cyclooxygenase… | x-ray diffraction | A, B, C, D | — | — |
| 1PXX | Crystal structure of diclofenac bound to the cyclooxygenase active site of COX-2 | x-ray diffraction | A, B, C, D | — | — |
| 1PXX | Crystal structure of diclofenac bound to the cyclooxygenase active site of COX-2 | x-ray diffraction | A, B, C, D | — | — |
| 3HS5 | X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | x-ray diffraction | A, B | — | — |
| 3HS5 | X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | x-ray diffraction | A, B | — | — |
| 3HS6 | X-ray crystal structure of eicosapentaenoic acid bound to the cyclooxygenase channel of… | x-ray diffraction | A, B | — | — |
| 3HS6 | X-ray crystal structure of eicosapentaenoic acid bound to the cyclooxygenase channel of… | x-ray diffraction | A, B | — | — |
| 3HS7 | X-ray crystal structure of docosahexaenoic acid bound to the cyclooxygenase channel of… | x-ray diffraction | A, B | — | — |
| 3HS7 | X-ray crystal structure of docosahexaenoic acid bound to the cyclooxygenase channel of… | x-ray diffraction | A, B | — | — |
| 3KRK | X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of L531F murine… | x-ray diffraction | A, B | — | — |
| 3KRK | X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of L531F murine… | x-ray diffraction | A, B | — | — |
| 3LN0 | Structure of compound 5c-S bound at the active site of COX-2 | x-ray diffraction | A, B, C, D | — | — |
| 3LN0 | Structure of compound 5C-S bound at the active site of COX-2 | x-ray diffraction | A, B, C, D | — | — |
| 3LN1 | Structure of celecoxib bound at the COX-2 active site | x-ray diffraction | A, B, C, D | — | — |
| 3LN1 | Structure of celecoxib bound at the COX-2 active site | x-ray diffraction | A, B, C, D | — | — |
| 3MDL | X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of… | x-ray diffraction | A, B | — | — |
| 3MDL | X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of… | x-ray diffraction | A, B | — | — |
| 3MQE | Structure of SC-75416 bound at the COX-2 active site | x-ray diffraction | A, B, C, D | — | — |
| 3MQE | Structure of sc-75416 bound at the COX-2 active site | x-ray diffraction | A, B, C, D | — | — |
| 3NTG | Crystal structure of COX-2 with selective compound 23d-(R) | x-ray diffraction | A, B, C, D | — | — |
| 3NTG | Crystal structure of COX-2 with selective compound 23D-(R) | x-ray diffraction | A, B, C, D | — | — |
| 3OLT | X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of R513H murine… | x-ray diffraction | A, B | — | — |
| 3OLT | X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of R513H murine… | x-ray diffraction | A, B | — | — |
| 3OLU | X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of R513H… | x-ray diffraction | A, B | — | — |
| 3OLU | X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of R513H… | x-ray diffraction | A, B | — | — |
| 3PGH | Cyclooxygenase-2 (prostaglandin synthase-2) complexed with a non-selective inhibitor, flurbiprofen | x-ray diffraction | A, B, C, D | — | — |
| 3PGH | Cyclooxygenase-2 (prostaglandin synthase-2) complexed with a non- selective inhibitor, flurbiprofen | x-ray diffraction | A, B, C, D | — | — |
| 3Q7D | Structure of (R)-naproxen bound to mCOX-2. | x-ray diffraction | A, B | — | — |
| 3Q7D | Structure of (R)-naproxen bound to mcox-2. | x-ray diffraction | A, B | — | — |
| 3QH0 | X-ray crystal structure of palmitic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | x-ray diffraction | A, B | — | — |
| 3QH0 | X-ray crystal structure of palmitic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | x-ray diffraction | A, B | — | — |
| 3QMO | X-ray crystal structure of NS-398 bound to the cyclooxygenase channel of cyclooxygenase-2 | x-ray diffraction | A, B | — | — |
| 3QMO | X-ray crystal structure of ns-398 bound to the cyclooxygenase channel of cyclooxygenase-2 | x-ray diffraction | A, B | — | — |
| 3RR3 | Structure of (R)-flurbiprofen bound to mCOX-2 | x-ray diffraction | A, B, C, D | — | — |
| 3RR3 | Structure of (R)-flurbiprofen bound to mcox-2 | x-ray diffraction | A, B, C, D | — | — |
| 3TZI | X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of G533V murine… | x-ray diffraction | A, B | — | — |
| 3TZI | X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of G533V murine… | x-ray diffraction | A, B | — | — |
| 4COX | Cyclooxygenase-2 (prostaglandin synthase-2) complexed with a non-selective inhibitor, indomethacin | x-ray diffraction | A, B, C, D | — | — |
| 4COX | Cyclooxygenase-2 (prostaglandin synthase-2) complexed with a non- selective inhibitor, indomethacin | x-ray diffraction | A, B, C, D | — | — |
| 4E1G | X-ray crystal structure of alpha-linolenic acid bound to the cyclooxygenase channel of… | x-ray diffraction | A, B | — | — |
| 4E1G | X-ray crystal structure of alpha-linolenic acid bound to the cyclooxygenase channel of… | x-ray diffraction | A, B | — | — |
| 4FM5 | X-ray structure of des-methylflurbiprofen bound to murine COX-2 | x-ray diffraction | A, B, C, D | — | — |
| 4FM5 | X-ray structure of des-methylflurbiprofen bound to murine COX-2 | x-ray diffraction | A, B, C, D | — | — |
| 4M10 | Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam | x-ray diffraction | A, B, C, D | — | — |
| 4M10 | Crystal structure of murine cyclooxygenase-2 complex with isoxicam | x-ray diffraction | A, B, C, D | — | — |
| 4M11 | Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam | x-ray diffraction | A, B, C, D | — | — |
| 4M11 | Crystal structure of murine cyclooxygenase-2 complex with meloxicam | x-ray diffraction | A, B, C, D | — | — |
| 4OTJ | The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin… | x-ray diffraction | A, B, C, D | — | — |
| 4OTJ | The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin… | x-ray diffraction | A, B, C, D | — | — |
| 4OTY | Crystal structure of lumiracoxib bound to the apo-mouse-cyclooxygenase-2 | x-ray diffraction | A, B | — | — |
| 4OTY | Crystal structure of lumiracoxib bound to the apo-mouse- cyclooxygenase-2 | x-ray diffraction | A, B | — | — |
| 4PH9 | The structure of Ibuprofen bound to cyclooxygenase-2 | x-ray diffraction | A, B | — | — |
| 4PH9 | The structure of ibuprofen bound to cyclooxygenase-2 | x-ray diffraction | A, B | — | — |
| 4RRW | Crystal Structure of Apo Murine Cyclooxygenase-2 | x-ray diffraction | A, B, C, D | — | — |
| 4RRW | Crystal structure of apo murine cyclooxygenase-2 | x-ray diffraction | A, B, C, D | — | — |
34 records more on the page itself.
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 16 records
- HEM · Protoporphyrin IX containing Fe · in 11 records
- COH · Protoporphyrin IX containing co · in 5 records
- AKR · Acrylic acid · in 4 records
- DXS · 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide · in 2 records
- FF8 · (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid · in 2 records
- L7M · 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide · in 2 records
- S58 · 1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole · in 2 records
- Y8A · 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline · in 2 records
- 60A · 2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol · in 1 record
- ACD · Arachidonic acid · in 1 record
- CEL · 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide · in 1 record
- FLP · Flurbiprofen · in 1 record
- MAN · alpha-D-mannopyranose · in 1 record
Experiment against prediction
- 3NTG chain A against the predicted model Q05769: TM-score 1.00, RMSD 0.44 Å
- 3NTG chain A against the predicted model Q05769: TM-score 1.00, RMSD 0.44 Å
- 4PH9 chain A against the predicted model Q05769: TM-score 1.00, RMSD 0.46 Å
- 4PH9 chain A against the predicted model Q05769: TM-score 1.00, RMSD 0.46 Å
- 3RR3 chain A against the predicted model Q05769: TM-score 1.00, RMSD 0.47 Å
- 3RR3 chain A against the predicted model Q05769: TM-score 1.00, RMSD 0.47 Å
- 4E1G chain A against the predicted model Q05769: TM-score 1.00, RMSD 0.47 Å
- 4E1G chain A against the predicted model Q05769: TM-score 1.00, RMSD 0.47 Å
- 3QMO chain A against the predicted model Q05769: TM-score 1.00, RMSD 0.48 Å
- 3QMO chain A against the predicted model Q05769: TM-score 1.00, RMSD 0.48 Å
Elsewhere
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