UniProt P00915
Carbonic anhydrase 1 (P00915)
Carbonic anhydrase 1 (UniProt P00915), EC 4.2.1.1: 71 experimental structures and 1 predicted model on GenesisL1, 22 ligands bound, 29 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P00915
- Protein
- Carbonic anhydrase 1
- EC
- 4.2.1.1
- Experimental structures
- 71
- Predicted models
- 1
- Ligands
- 22
- Pockets
- 29 · 6 records with a druggable one
Structures
72 records of P00915 in the MolNFT archive: 71 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1AZM | Drug-protein interactions: structure of sulfonamide drug complexed with human carbonic anhydrase I | x-ray diffraction | A | — | — |
| 1AZM | Drug-protein interactions: structure of sulfonamide drug complexed with human carbonic anhydrase I | x-ray diffraction | A | — | — |
| 1BZM | Drug-protein interactions: structure of sulfonamide drug complexed with human carbonic anhydrase I | x-ray diffraction | A | — | — |
| 1BZM | Drug-protein interactions: structure of sulfonamide drug complexed with human carbonic anhydrase I | x-ray diffraction | A | — | — |
| 1CRM | Structure and function of carbonic anhydrases | x-ray diffraction | A | — | — |
| 1CRM | Structure and function of carbonic anhydrases | x-ray diffraction | A | — | — |
| 1CZM | Drug-protein interactions: structure of sulfonamide drug complexed with human carbonic anhydrase I | x-ray diffraction | A | — | — |
| 1CZM | Drug-protein interactions: structure of sulfonamide drug complexed with human carbonic anhydrase I | x-ray diffraction | A | — | — |
| 1HCB | Enzyme-substrate interactions: structure of human carbonic anhydrase I complexed with bicarbonate | x-ray diffraction | A | — | — |
| 1HCB | Enzyme-substrate interactions: structure of human carbonic anhydrase I complexed with bicarbonate | x-ray diffraction | A | — | — |
| 1HUG | Differences in anionic inhibition of Human Carbonic Anhydrase I revealed from the structures of… | x-ray diffraction | A | — | — |
| 1HUG | Differences in anionic inhibition of human carbonic anhydrase I revealed from the structures of… | x-ray diffraction | A | — | — |
| 1HUH | Differences in anionic inhibition of human carbonic anhydrase I revealed from the structures of… | x-ray diffraction | A | — | — |
| 1HUH | Differences in anionic inhibition of human carbonic anhydrase I revealed from the structures of… | x-ray diffraction | A | — | — |
| 1J9W | Solution Structure of the CAI Michigan 1 Variant | x-ray diffraction | A, B | — | — |
| 1J9W | Solution structure of the cai michigan 1 variant | x-ray diffraction | A, B | — | — |
| 1JV0 | The crystal structure of the ZINC(II) adduct of the cai michigan 1 variant | x-ray diffraction | A, B | — | — |
| 1JV0 | The crystal structure of the ZINC(II) adduct of the cai michigan 1 variant | x-ray diffraction | A, B | — | — |
| 2CAB | Structure, refinement and function of carbonic anhydrase isozymes. refinement of human carbonic… | x-ray diffraction | A | — | — |
| 2CAB | Structure, refinement and function of carbonic anhydrase isozymes. refinement of human carbonic… | x-ray diffraction | A | — | — |
| 2FOY | Human Carbonic Anhydrase I complexed with a two-prong inhibitor | x-ray diffraction | A, B | — | — |
| 2FOY | Human carbonic anhydrase I complexed with a two-prong inhibitor | x-ray diffraction | A, B | — | — |
| 2FW4 | Carbonic anhydrase activators. The first X-ray crystallographic study of an activator of isoform I… | x-ray diffraction | A, B | — | — |
| 2FW4 | Carbonic anhydrase activators. the first X-ray crystallographic study of an activator of isoform I… | x-ray diffraction | A, B | — | — |
| 2IT4 | X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug… | x-ray diffraction | A, B | — | — |
| 2IT4 | X ray structure of the complex between carbonic anhydrase I and the phosphonate antiviral drug… | x-ray diffraction | A, B | — | — |
| 2NMX | Structure of inhibitor binding to Carbonic Anhydrase I | x-ray diffraction | A, B | — | — |
| 2NMX | Structure of inhibitor binding to carbonic anhydrase I | x-ray diffraction | A, B | — | — |
| 2NN1 | Structure of inhibitor binding to Carbonic Anhydrase I | x-ray diffraction | A, B | — | — |
| 2NN1 | Structure of inhibitor binding to carbonic anhydrase I | x-ray diffraction | A, B | — | — |
| 2NN7 | Structure of inhibitor binding to Carbonic Anhydrase I | x-ray diffraction | A, B | — | — |
| 2NN7 | Structure of inhibitor binding to carbonic anhydrase I | x-ray diffraction | A, B | — | — |
| 3LXE | Human Carbonic Anhydrase I in complex with topiramate | x-ray diffraction | A, B | — | — |
| 3LXE | Human carbonic anhydrase I in complex with topiramate | x-ray diffraction | A, B | — | — |
| 3W6H | Crystal structure of 19F probe-labeled hCAI in complex with acetazolamide | x-ray diffraction | A, B | — | — |
| 3W6H | Crystal structure of 19F probe-labeled hcai in complex with acetazolamide | x-ray diffraction | A, B | — | — |
| 3W6I | Crystal structure of 19F probe-labeled hCAI | x-ray diffraction | A, E | — | — |
| 3W6I | Crystal structure of 19F probe-labeled hcai | x-ray diffraction | A, E | — | — |
| 4WR7 | Crystal structure of human carbonic anhydrase isozyme I with… | x-ray diffraction | A, B | — | — |
| 4WR7 | Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6… | x-ray diffraction | A, B | — | — |
| 4WUP | Crystal structure of human carbonic anhydrase isozyme I with… | x-ray diffraction | A, B | — | — |
| 4WUP | Crystal structure of human carbonic anhydrase isozyme I with 4-[(2… | x-ray diffraction | A, B | — | — |
| 4WUQ | Crystal structure of human carbonic anhydrase isozyme I with… | x-ray diffraction | A, B | — | — |
| 4WUQ | Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6… | x-ray diffraction | A, B | — | — |
| 5E2M | Crystal structure of human carbonic anhydrase isozyme I with… | x-ray diffraction | A, B | ZN, V14 | — |
| 5E2M | Crystal structure of human carbonic anhydrase isozyme I with 3… | x-ray diffraction | A, B | — | — |
| 5GMM | Crystal structure of human carbonic anhydrase I in complex with polmacoxib | x-ray diffraction | A, B | — | — |
| 6EVR | Crystal structure of human carbonic anhydrase I in complex with the 4- (4… | x-ray diffraction | A, B | ZN, BZW | — |
| 6EX1 | Crystal structure of human carbonic anhydrase I in complex with the 4-[(3S)-3… | x-ray diffraction | A, B | ZN, N19 | 4 (best 0.55) |
| 6EX1 | Crystal structure of human carbonic anhydrase I in complex with the 4- [(3S)-3… | x-ray diffraction | A, B | ZN, N19 | — |
| 6F3B | Crystal structure of human carbonic anhydrase I in complex with the… | x-ray diffraction | A, B | ZN, CJK | 5 (best 0.56) |
| 6F3B | Crystal structure of human carbonic anhydrase I in complex with the 1… | x-ray diffraction | A, B | ZN, CJK | — |
| 6FAF | Crystal structure of human carbonic anhydrase I in complex with the 3… | x-ray diffraction | A, B | ZN, D3B | — |
| 6FAG | Crystal structure of human carbonic anhydrase I in complex with the 1… | x-ray diffraction | A, B | ZN, EON | — |
| 6G3V | Crystal structure of human carbonic anhydrase I in complex with the inhibitor famotidine | x-ray diffraction | A, B | ZN, FO9 | 6 (best 0.58) |
| 6G3V | Crystal structure of human carbonic anhydrase I in complex with the inhibitor famotidine | x-ray diffraction | A, B | ZN, FO9 | — |
| 6HWZ | Selenols: a new class of carbonic anhydrase inhibitors | x-ray diffraction | A, B | ZN, GXE | — |
| 6I0J | Crystal structure of human carbonic anhydrase I in complex with the… | x-ray diffraction | A, B | ZN, GZE | — |
| 6I0J | Crystal structure of human carbonic anhydrase I in complex with the 4… | x-ray diffraction | A, B | ZN, GZE | — |
| 6I0L | Crystal structure of human carbonic anhydrase I in complex with the 1… | x-ray diffraction | A, B | ZN, GZH | — |
12 records more on the page itself.
Ligands
- ZN · Zinc ion · in 25 records
- CJK · 1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea · in 2 records
- FO9 · famotidine · in 2 records
- GZE · [4-[[4-chloranyl-3-(trifluoromethyl) phenyl]carbamoylamino]phenyl] sulfamate · in 2 records
- LVW · (2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol · in 2 records
- N19 · 4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide · in 2 records
- 84Z · Methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate · in 1 record
- BZW · 4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide · in 1 record
- D3B · 1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea · in 1 record
- EON · 1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl) urea · in 1 record
- GXE · benzeneselenol · in 1 record
- GZH · 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea · in 1 record
- IWE · Azosemide · in 1 record
- KIX · 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine · in 1 record
- NA · Sodium ion · in 1 record
- O4Z · 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea · in 1 record
- O55 · 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea · in 1 record
- O5H · 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl) urea · in 1 record
- O5K · 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea · in 1 record
- O5N · 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea · in 1 record
- O5T · 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea · in 1 record
- V14 · 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide · in 1 record
Experiment against prediction
- 5GMM chain B against the predicted model P00915: TM-score 0.99, RMSD 0.44 Å
- 6XZO chain A against the predicted model P00915: TM-score 0.99, RMSD 0.45 Å
- 6XZS chain A against the predicted model P00915: TM-score 0.99, RMSD 0.46 Å
- 6EVR chain A against the predicted model P00915: TM-score 0.99, RMSD 0.46 Å
- 6Y00 chain A against the predicted model P00915: TM-score 0.99, RMSD 0.46 Å
- 6XZE chain A against the predicted model P00915: TM-score 0.99, RMSD 0.46 Å
- 5GMM chain A against the predicted model P00915: TM-score 0.99, RMSD 0.46 Å
- 6XZY chain A against the predicted model P00915: TM-score 0.99, RMSD 0.46 Å
- 6F3B chain A against the predicted model P00915: TM-score 0.99, RMSD 0.47 Å
- 6F3B chain A against the predicted model P00915: TM-score 0.99, RMSD 0.47 Å
Elsewhere
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