4L77
P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | P450cin | polymer | 398 | 44744.9 | 2 | UniProt (Q8VQF6) Pfam (PF00067) | Citrobacter braakii | |
| 2 | C, H (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, I (A, B) | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE | non-polymer | 154.2 | 2 | Chemie (CNL) | |||
| 4 | E, J (A, B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) | |||
| 5 | F, K (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 6 | G (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 7 | L, M (A, B) | water | water | 18.0 | 1050 | Chemie (HOH) |
Sequence modifications
A, B: 8 - 404 (UniProt: Q8VQF6)
| PDB | External Database | Details |
|---|---|---|
| Met 7 | - | initiating methionine |
| Ala 242 | Asn 242 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 89489.7 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2238.2 | |
| All* | Total formula weight | 91727.9 |
