7R1I
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Steroid C26-monooxygenase | polymer | 418 | 46663.4 | 3 | UniProt (P9WPP1) Pfam (PF00067) | Mycobacterium tuberculosis H37Rv | Cholest-4-en-3-one 26-monooxygenase,Cholest-4-en-3-one C26-monooxygenase [(25S)-3-oxocholest-4-en-26-oate forming],Cholesterol C26-monooxygenase,Cholesterol C26-monooxygenase [(25S)-3beta-hydroxycholest-5-en-26-oate forming],Cytochrome P450 125,Steroid C27-monooxygenase |
| 2 | D, K, N (A, B, C) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 3 | Chemie (HEM) | |||
| 3 | E, F, L, O (A, B, C) | ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate | non-polymer | 377.5 | 4 | Chemie (HIH) | |||
| 4 | G, H, I, P (A, C) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | J, M (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 6 | Q, R, S (A, B, C) | water | water | 18.0 | 332 | Chemie (HOH) |
Sequence modifications
A, B, C: 18 - 433 (UniProt: P9WPP1)
| PDB | External Database | Details |
|---|---|---|
| Asn 16 | - | expression tag |
| Gly 17 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 139990.1 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 3814.5 | |
| All* | Total formula weight | 143804.7 |
