2W0A
CYP51 of M. tuberculosis bound to an inhibitor N-[(1S)-2-METHYL-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | CYTOCHROME P450 51 | polymer | 455 | 51491.3 | 1 | UniProt (P0A512) Pfam (PF00067) UniProt (by SIFTS) (P9WPP9) In PDB | MYCOBACTERIUM TUBERCULOSIS | CYP51, CYPLI, P450-LIA1, STEROL 14-ALPHA DEMETHYLASE, LANOSTEROL 14-ALPHA DEMETHYLASE, P450-14DM |
| 2 | A | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | A | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | non-polymer | 303.4 | 1 | Chemie (CII) | |||
| 4 | water | water | 18.0 | 285 | Chemie (HOH) |
Sequence modifications
A: 1 - 451 (UniProt: P0A512)
A: 452 - 455 (PDB: 2W0A)
| PDB | External Database | Details |
|---|---|---|
| Leu 37 | Cys 37 | engineered mutation |
| Ala 86 | Gly 86 | conflict |
| Ala 442 | Cys 442 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 51491.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 919.9 | |
| All* | Total formula weight | 52411.2 |
