6QL3
Crystal structure of chimeric carbonic anhydrase VI with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
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 | 29366.1 | 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) | 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | non-polymer | 444.5 | 1 | Chemie (V14) | |||
| 4 | D, J (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 5 | E, F (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 6 | G (A) | MALONIC ACID | non-polymer | 104.1 | 1 | Chemie (MLA) | |||
| 7 | H (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 8 | I, K (A) | BENZOIC ACID | non-polymer | 122.1 | 2 | Chemie (BEZ) | |||
| 9 | L (A) | water | water | 18.0 | 275 | Chemie (HOH) |
Sequence modifications
A: 1 - 261 (UniProt: P00918)
| PDB | External Database | Details |
|---|---|---|
| Thr 65 | Ala 65 | engineered mutation |
| Gln 67 | Asn 67 | engineered mutation |
| Tyr 131 | Phe 130 | engineered mutation |
| Gln 135 | Val 134 | engineered mutation |
| Thr 204 | Leu 203 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 29366.1 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1288.8 | |
| All* | Total formula weight | 30654.8 |
