7QNN
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Steroid C26-monooxygenase | polymer | 418 | 46489.1 | 1 | UniProt (P9WPP1) Pfam (PF00067) In PDB | Mycobacterium tuberculosis | 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 | A | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | A | ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | non-polymer | 348.4 | 1 | Chemie (E93) | |||
| 4 | water | water | 18.0 | 121 | Chemie (HOH) |
Sequence modifications
A: 18 - 433 (UniProt: P9WPP1)
| PDB | External Database | Details |
|---|---|---|
| Asn 16 | - | expression tag |
| Gly 17 | - | expression tag |
| Ala 153 | Lys 153 | engineered mutation |
| Ala 332 | Lys 332 | engineered mutation |
| Ala 333 | Lys 333 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 46489.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 964.9 | |
| All* | Total formula weight | 47454.0 |
