3JUS
Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with econazole
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Lanosterol 14-alpha demethylase | polymer | 461 | 52769.5 | 2 | UniProt (Q16850) Pfam (PF00067) In PDB | Homo sapiens (human) | LDM, Cytochrome P450 51A1, CYPLI, P450LI, Sterol 14-alpha demethylase, P450-14DM, P45014DM |
2 | C, D | Cycloheptakis-(1-4)-(alpha-D-glucopyranose) | branched | 1153.0 | 2 | In PDB BIRD (PRD_900012) GlyTouCan (G01435GL) | beta-cyclodextrin | ||
3 | A, B | 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole | non-polymer | 381.7 | 2 | Chemie (ECL) | |||
4 | A, B | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
5 | A, B | 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE | non-polymer | 381.7 | 2 | Chemie (ECN) | |||
6 | water | water | 18.0 | 39 | Chemie (HOH) |
Sequence modifications
A, B: 54 - 502 (UniProt: Q16850)
PDB | External Database | Details |
---|---|---|
Met 49 | - | expression tag |
Ala 50 | - | expression tag |
Lys 51 | - | expression tag |
Lys 52 | - | expression tag |
Thr 53 | - | expression tag |
Thr 503 | - | expression tag |
His 504 | - | expression tag |
His 505 | - | expression tag |
His 506 | - | expression tag |
His 507 | - | expression tag |
His 508 | - | expression tag |
His 509 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 105538.9 | |
Branched | Number of molecules | 2 |
Total formula weight | 2306.0 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 2759.7 | |
All* | Total formula weight | 110604.6 |