9DX9
The crystal structure of F182AQE CYP199A4 bound to 4-t-butylbenzoic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cytochrome P450 | polymer | 410 | 44552.4 | 1 | UniProt (Q2IU02) Pfam (PF00067) | Rhodopseudomonas palustris HaA2 | CYP199A4 |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | 4-~{tert}-butylbenzoic acid | non-polymer | 178.2 | 1 | Chemie (5R0) | |||
| 4 | D (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | E (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 6 | F (A) | water | water | 18.0 | 656 | Chemie (HOH) |
Sequence modifications
A: 0 - 409 (UniProt: Q2IU02)
| PDB | External Database | Details |
|---|---|---|
| Ala 182 | Phe 183 | engineered mutation |
| Gln 251 | Asp 252 | engineered mutation |
| Glu 252 | Thr 253 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 44552.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 854.5 | |
| All* | Total formula weight | 45406.9 |
