5OHH
Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (B, A) | Carbonic anhydrase 13 | polymer | 263 | 29613.3 | 2 | UniProt (Q8N1Q1) Pfam (PF00194) | Homo sapiens (Human) | Carbonate dehydratase XIII,Carbonic anhydrase XIII,CA-XIII |
| 2 | C, P (B, A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, N, U, W (B, A) | CITRIC ACID | non-polymer | 192.1 | 4 | Chemie (CIT) | |||
| 4 | E, F, I, J, R... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
| 5 | G (B) | AZIDE ION | non-polymer | 42.0 | 1 | Chemie (AZI) | |||
| 6 | H (B) | BICINE | non-polymer | 163.2 | 1 | Chemie (BCN) | |||
| 7 | K, Q (B, A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 8 | L (B) | PERCHLORATE ION | non-polymer | 99.5 | 1 | Chemie (LCP) | |||
| 9 | M, V (B, A) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 10 | O (B) | 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide | non-polymer | 418.5 | 1 | Chemie (5DU) | |||
| 11 | X, Y (B, A) | water | water | 18.0 | 699 | Chemie (HOH) |
Sequence modifications
B, A: 2 - 263 (UniProt: Q8N1Q1)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 59226.6 | |
| Non-Polymers* | Number of molecules | 21 |
| Total formula weight | 2387.2 | |
| All* | Total formula weight | 61613.9 |
