9KW2
Crystal structure of CYP105A1 R84A and ketoconazole complex
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Vitamin D3 dihydroxylase | polymer | 412 | 44991.7 | 1 | UniProt (P18326) Pfam (PF00067) | Streptomyces griseolus | CYP105A1,Cytochrome P450-CVA1,Cytochrome P450-SU1,Vitamin D3 hydroxylase,VD3 hydroxylase |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE | non-polymer | 531.4 | 1 | Chemie (KTN) | |||
| 4 | D (A) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) | |||
| 5 | E (A) | water | water | 18.0 | 256 | Chemie (HOH) |
Sequence modifications
A: 1 - 406 (UniProt: P18326)
| PDB | External Database | Details |
|---|---|---|
| Ala 84 | Arg 84 | engineered mutation |
| Gln 308 | His 308 | variant |
| His 407 | - | expression tag |
| His 408 | - | expression tag |
| His 409 | - | expression tag |
| His 410 | - | expression tag |
| His 411 | - | expression tag |
| His 412 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 44991.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1270.1 | |
| All* | Total formula weight | 46261.8 |
