UniProt Q16790
Carbonic anhydrase 9 (Q16790)
Carbonic anhydrase 9 (UniProt Q16790), EC 4.2.1.1: 46 experimental structures and 1 predicted model on GenesisL1, 20 ligands bound, 142 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q16790
- Protein
- Carbonic anhydrase 9
- EC
- 4.2.1.1
- Experimental structures
- 46
- Predicted models
- 1
- Ligands
- 20
- Pockets
- 142 · 17 records with a druggable one
Structures
47 records of Q16790 in the MolNFT archive: 46 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2HKF | Crystal structure of the Complex Fab M75- Peptide | x-ray diffraction | P | — | — |
| 2HKF | Crystal structure of the complex Fab M75- peptide | x-ray diffraction | P | — | — |
| 3IAI | Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX | x-ray diffraction | A, B, C, D | — | — |
| 3IAI | Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX | x-ray diffraction | A, B, C, D | — | — |
| 5DVX | Crystal structure of the catalytic-domain of human carbonic anhydrase IX at 1.6 angstrom resolution | x-ray diffraction | A, B | ZN, CL | 4 (best 0.72) |
| 5DVX | Crystal structure of the catalytic-domain of human carbonic anhydrase IX at 1.6 ångström resolution | x-ray diffraction | A, B | — | — |
| 5FL4 | Three dimensional structure of human carbonic anhydrase IX in complex with… | x-ray diffraction | A, B, C, D | ZN, 9FK | — |
| 5FL4 | Three dimensional structure of human carbonic anhydrase IX in complex with… | x-ray diffraction | A, B, C, D | — | — |
| 5FL5 | Three dimensional structure of human carbonic anhydrase IX in complex with… | x-ray diffraction | A, B, C, D | 82E, ZN, SO4 | — |
| 5FL5 | Three dimensional structure of human carbonic anhydrase IX in complex with… | x-ray diffraction | A, B, C, D | — | — |
| 5FL6 | Three dimensional structure of human carbonic anhydrase IX in complex with… | x-ray diffraction | A, B, C, D | — | — |
| 5FL6 | Three dimensional structure of human carbonic anhydrase IX in complex with… | x-ray diffraction | A, B, C, D | — | — |
| 6FE0 | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide. | x-ray diffraction | A, B, C, D | ZN, V90 | 13 (best 0.84) |
| 6FE0 | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide. | x-ray diffraction | A, B, C, D | ZN, V90 | — |
| 6FE1 | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide. | x-ray diffraction | A, B, C, D | ZN, V14 | 11 (best 0.88) |
| 6FE1 | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide. | x-ray diffraction | A, B, C, D | ZN, V14 | — |
| 6FE2 | Three dimensional structure of human carbonic anhydrase IX | x-ray diffraction | A, B, C, D | ZN | — |
| 6FE2 | Three dimensional structure of human carbonic anhydrase IX | x-ray diffraction | A, B, C, D | ZN | — |
| 6G98 | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | x-ray diffraction | A, B, C, D | ZN, ER5 | — |
| 6G9U | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | x-ray diffraction | A, B, C, D | ZN, ETK | 9 (best 0.87) |
| 6G9U | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | x-ray diffraction | A, B, C, D | ZN, ETK | — |
| 6QN2 | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide | x-ray diffraction | A, B, C, D | ZN, J92 | 12 (best 0.86) |
| 6QN2 | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide | x-ray diffraction | A, B, C, D | ZN, J92 | — |
| 6QN5 | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide | x-ray diffraction | A, B, C, D | ZN, J8N | 12 (best 0.87) |
| 6QN5 | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide | x-ray diffraction | A, B, C, D | ZN, J8N | — |
| 6QN6 | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide | x-ray diffraction | A, B, C, D | ZN, J8Q | 8 (best 0.87) |
| 6QN6 | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide | x-ray diffraction | A, B, C, D | ZN, J8Q | — |
| 6QUT | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide | x-ray diffraction | A, B, C, D | ZN, J8N | — |
| 6RQN | X-ray crystal structure of protiated (H) small monoclinic unit cell CA IX SV. | x-ray diffraction | A | ZN | 2 (best 0.55) |
| 6RQN | X-ray crystal structure of protiated (H) small monoclinic unit cell ca IX sv. | x-ray diffraction | A | ZN | — |
| 6RQQ | X-ray crystal structure of protiated (H) large monoclinic unit cell CA IX SV. | x-ray diffraction | A, C | ZN | 7 (best 0.64) |
| 6RQQ | X-ray crystal structure of protiated (H) large monoclinic unit cell ca IX sv. | x-ray diffraction | A, C | ZN | — |
| 6RQU | X-ray crystal structure of H/D exchanged (H/D) small monoclinic unit cell CA IX SV. | x-ray diffraction | A | ZN | 2 (best 0.52) |
| 6RQU | X-ray crystal structure of H/D exchanged (H/D) small monoclinic unit cell ca IX sv. | x-ray diffraction | A | ZN | — |
| 6RQW | X-ray crystal structure of perdeuterated (D) small monoclinic unit cell CA IX SV. | x-ray diffraction | A | ZN | 2 (best 0.56) |
| 6RQW | X-ray crystal structure of perdeuterated (D) small monoclinic unit cell ca IX sv. | x-ray diffraction | A | ZN | — |
| 6TL5 | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | x-ray diffraction | A, B, C, D | MKQ, ZN | 9 (best 0.85) |
| 6TL5 | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | x-ray diffraction | A, B, C, D | MKQ, ZN | — |
| 6TL6 | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | x-ray diffraction | A, B, C, D | ZN, MUE | 10 (best 0.86) |
| 6TL6 | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | x-ray diffraction | A, B, C, D | ZN, MUE | — |
| 6Y74 | X-ray crystal structure of human carbonic anhydrase IX catalytic domain. | x-ray diffraction | A, B | NAG, BMA, ZN, CL | — |
| 7POM | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | x-ray diffraction | A, B, C, D | ZN, 7VZ | 9 (best 0.88) |
| 7POM | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | x-ray diffraction | A, B, C, D | ZN, 7VZ | — |
| 8CO0 | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | x-ray diffraction | A, C, E, G | ZN, V8O | 12 (best 0.86) |
| 8Q18 | The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide | x-ray diffraction | A, B, C, D | ZN, IQE | 11 (best 0.88) |
| 8Q19 | The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide | x-ray diffraction | A, B, C, D | ZN, IQ2 | 9 (best 0.87) |
| Q16790 | AlphaFold monomer V2.0 prediction for carbonic anhydrase 9 (Q16790) | predicted | A | — | — |
Ligands
- ZN · Zinc ion · in 37 records
- J8N · 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide · in 3 records
- 7VZ · methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate · in 2 records
- CL · Chloride ion · in 2 records
- ETK · 4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid · in 2 records
- J8Q · ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide · in 2 records
- J92 · methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate · in 2 records
- MKQ · 3,5-diphenylbenzenesulfonamide · in 2 records
- MUE · naphthalene-2-sulfonamide · in 2 records
- V14 · 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide · in 2 records
- V90 · 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide · in 2 records
- 82E · 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide · in 1 record
- 9FK · 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide · in 1 record
- BMA · beta-D-mannopyranose · in 1 record
- ER5 · 4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid · in 1 record
- IQ2 · 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide · in 1 record
- IQE · 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide · in 1 record
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 1 record
- SO4 · Sulfate ion · in 1 record
- V8O · 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide · in 1 record
Experiment against prediction
- 6FE0 chain D against the predicted model Q16790: TM-score 1.00, RMSD 0.32 Å
- 6FE0 chain D against the predicted model Q16790: TM-score 1.00, RMSD 0.32 Å
- 6G9U chain D against the predicted model Q16790: TM-score 1.00, RMSD 0.32 Å
- 6G9U chain D against the predicted model Q16790: TM-score 1.00, RMSD 0.32 Å
- 6TL5 chain D against the predicted model Q16790: TM-score 1.00, RMSD 0.33 Å
- 6TL5 chain D against the predicted model Q16790: TM-score 1.00, RMSD 0.33 Å
- 6QN5 chain C against the predicted model Q16790: TM-score 1.00, RMSD 0.33 Å
- 6QN5 chain C against the predicted model Q16790: TM-score 1.00, RMSD 0.33 Å
- 6QUT chain A against the predicted model Q16790: TM-score 1.00, RMSD 0.33 Å
- 8Q18 chain C against the predicted model Q16790: TM-score 1.00, RMSD 0.33 Å
Elsewhere
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