UniProt Q50940
Carbonic anhydrase (Q50940)
Carbonic anhydrase (UniProt Q50940), EC 4.2.1.1: 10 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 65 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q50940
- Protein
- Carbonic anhydrase
- EC
- 4.2.1.1
- Experimental structures
- 10
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 65 · 6 records with a druggable one
Structures
11 records of Q50940 in the MolNFT archive: 10 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1KOP | Neisseria gonorrhoeae carbonic anhydrase | x-ray diffraction | A, B | ZN, AZI, SO4 | 3 (best 0.50) |
| 1KOP | Neisseria gonorrhoeae carbonic anhydrase | x-ray diffraction | A, B | ZN, AZI, SO4 | 3 (best 0.50) |
| 1KOQ | Neisseria gonorrhoeae carbonic anhydrase | x-ray diffraction | A, B | ZN | 3 (best 0.47) |
| 1KOQ | Neisseria gonorrhoeae carbonic anhydrase | x-ray diffraction | A, B | ZN | 3 (best 0.47) |
| 8DPC | Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae | x-ray diffraction | A, C, E, G | ZN, SO4 | 8 (best 0.72) |
| 8DPO | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide | x-ray diffraction | A, C, E, G | AZM, ZN, SO4 | 9 (best 0.76) |
| 8DQF | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with… | x-ray diffraction | A, C, E, G | VGV, ZN, SO4 | 11 (best 0.77) |
| 8DR2 | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with… | x-ray diffraction | A, C, E, G | TE3, ZN, SO4 | 8 (best 0.61) |
| 8DRB | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with… | x-ray diffraction | A, C, E, G | TBW, ZN, SO4 | 10 (best 0.71) |
| 8DYQ | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide | x-ray diffraction | A, C, E, G | AZM, ZN, SO4 | 7 (best 0.76) |
| Q50940 | AlphaFold monomer V2.0 prediction for carbonic anhydrase (Q50940) | predicted | A | — | — |
Ligands
- ZN · Zinc ion · in 10 records
- SO4 · Sulfate ion · in 8 records
- AZI · Azide ion · in 2 records
- AZM · 5-acetamido-1,3,4-thiadiazole-2-sulfonamide · in 2 records
- TBW · 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide · in 1 record
- TE3 · 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide · in 1 record
- VGV · N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl) cyclohexanecarboxamide · in 1 record
Experiment against prediction
- 1KOP chain A against the predicted model Q50940: TM-score 1.00, RMSD 0.22 Å
- 1KOP chain A against the predicted model Q50940: TM-score 1.00, RMSD 0.22 Å
- 1KOQ chain A against the predicted model Q50940: TM-score 1.00, RMSD 0.25 Å
- 1KOQ chain A against the predicted model Q50940: TM-score 1.00, RMSD 0.25 Å
- 1KOQ chain B against the predicted model Q50940: TM-score 1.00, RMSD 0.30 Å
- 1KOQ chain B against the predicted model Q50940: TM-score 1.00, RMSD 0.30 Å
- 1KOP chain B against the predicted model Q50940: TM-score 1.00, RMSD 0.31 Å
- 1KOP chain B against the predicted model Q50940: TM-score 1.00, RMSD 0.31 Å
- 8DPC chain E against the predicted model Q50940: TM-score 1.00, RMSD 0.34 Å
- 8DRB chain E against the predicted model Q50940: TM-score 1.00, RMSD 0.35 Å
Elsewhere
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