4E3D
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Carbonic anhydrase 2 | polymer | 260 | 29289.1 | 1 | UniProt (P00918) Pfam (PF00194) | Homo sapiens (human) | Carbonate dehydratase II, Carbonic anhydrase C, CAC, Carbonic anhydrase II, CA-II |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C (A) | MERCURIBENZOIC ACID | non-polymer | 321.7 | 1 | Chemie (MBO) | |||
| 4 | D, E (A) | 2,5-dihydroxybenzoic acid | non-polymer | 154.1 | 2 | Chemie (GTQ) | |||
| 5 | F (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | G (A) | water | water | 18.0 | 178 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 29289.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 787.4 | |
| All* | Total formula weight | 30076.5 |
