6YHA
Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)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 (A) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 5 | E (A) | ISOBUTYL MALONIC ACID | non-polymer | 160.2 | 1 | Chemie (LML) | |||
| 6 | F, G (A) | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide | non-polymer | 303.3 | 2 | Chemie (3TV) | |||
| 7 | H (A) | water | water | 18.0 | 255 | 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 | 6 |
| Total formula weight | 1105.5 | |
| All* | Total formula weight | 30326.4 |
