5FSA
Crystal structure of sterol 14-alpha demethylase (CYP51) from a pathogenic yeast Candida albicans in complex with the antifungal drug posaconazole
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) | CYP51 VARIANT1 | polymer | 490 | 56435.2 | 2 | UniProt (Q9P4W0) Pfam (PF00067) UniProt (by SIFTS) (P10613) | CANDIDA ALBICANS | STEROL 14ALPHA-DEMETHYLASE |
| 2 | C, E (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, F (A, B) | POSACONAZOLE | non-polymer | 700.8 | 2 | Chemie (X2N) PubChem (176477119) PubChem (22875880) PubChem (21309251) PubChem (22875881) PubChem (21910730) PubChem (22875877) PubChem (24859194) PubChem (147912) PubChem (57417226) PubChem (58756608) PubChem (468595) PubChem (58649001) PubChem (59047101) PubChem (69944315) PubChem (70795732) PubChem (89744654) PubChem (90338708) PubChem (94865929) PubChem (124600647) PubChem (129011664) PubChem (129011666) PubChem (129132263) PubChem (94865927) PubChem (94865928) PubChem (118703725) PubChem (134814112) PubChem (143880161) PubChem (12010394) PubChem (123334345) PubChem (138572818) PubChem (11520437) PubChem (11542142) PubChem (124671302) PubChem (146270092) PubChem (171380465) PubChem (129010329) PubChem (129011665) PubChem (129011667) PubChem (129011668) PubChem (144360897) PubChem (169544619) PubChem (175673747) PubChem (175673756) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 127 | Chemie (HOH) |
Sequence modifications
A, B: 49 - 528 (UniProt: Q9P4W0)
| PDB | External Database | Details |
|---|---|---|
| Met 43 | - | expression tag |
| Ala 44 | - | expression tag |
| Lys 45 | - | expression tag |
| Lys 46 | - | expression tag |
| Thr 47 | - | expression tag |
| Pro 48 | - | expression tag |
| His 529 | - | expression tag |
| His 530 | - | expression tag |
| His 531 | - | expression tag |
| His 532 | - | expression tag |
| Leu 263 | Ser 263 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 112870.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2634.5 | |
| All* | Total formula weight | 115504.9 |
