6YH7
Crystal structure of chimeric carbonic anhydrase XII with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-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 | 29220.9 | 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) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | D, E (A) | 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | non-polymer | 450.5 | 2 | Chemie (5EF) | |||
| 5 | F (A) | water | water | 18.0 | 284 | Chemie (HOH) |
Sequence modifications
A: 1 - 261 (UniProt: P00918)
| PDB | External Database | Details |
|---|---|---|
| Ser 65 | Ala 65 | engineered mutation |
| Lys 67 | Asn 67 | engineered mutation |
| Thr 91 | Ile 91 | engineered mutation |
| Ala 131 | Phe 130 | engineered mutation |
| Ser 135 | Val 134 | engineered mutation |
| Asn 204 | Leu 203 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 29220.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1044.4 | |
| All* | Total formula weight | 30265.3 |
