4QSJ
Crystal structure of human carbonic anhydrase isozyme XIII with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}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, L (B, A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, M (B, A) | 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide | non-polymer | 373.8 | 2 | Chemie (EWW) | |||
| 4 | E, H (B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 5 | F (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | G, J (B) | CITRIC ACID | non-polymer | 192.1 | 2 | Chemie (CIT) | |||
| 7 | I, K (B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 8 | N (A) | NICKEL (II) ION | non-polymer | 58.7 | 1 | Chemie (NI) | |||
| 9 | O, P (B, A) | water | water | 18.0 | 543 | Chemie (HOH) |
Sequence modifications
B, A: 0 - 261 (UniProt: Q8N1Q1)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 59226.6 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1735.9 | |
| All* | Total formula weight | 60962.6 |
