4ZWZ
Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor
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 | 257 | 28844.5 | 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) | methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate | non-polymer | 450.4 | 1 | Chemie (510) | |||
| 4 | D, E (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 5 | F (A) | water | water | 18.0 | 230 | Chemie (HOH) |
Sequence modifications
A: 4 - 261 (UniProt: P00918)
| PDB | External Database | Details |
|---|---|---|
| Ser 65 | Ala 65 | engineered mutation |
| Gln 67 | Asn 67 | engineered mutation |
| Thr 69 | Glu 69 | engineered mutation |
| Leu 91 | Ile 91 | engineered mutation |
| Val 131 | Phe 130 | engineered mutation |
| Glu 170 | Lys 169 | engineered mutation |
| Ala 204 | Leu 203 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 28844.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 672.1 | |
| All* | Total formula weight | 29516.6 |
