Download MendeleyCrystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
Snee, M., Amadi, C.To be published.
8A6W
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
- PDB DOI: https://doi.org/10.2210/pdb8A6W/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Mycobacterium tuberculosis H37Rv
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2022-06-20 Released: 2023-07-05
- Funding Organization(s): Biotechnology and Biological Sciences Research Council (BBSRC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.09 Å
- R-Value Free: 0.236
- R-Value Work: 0.201
- R-Value Observed: 0.203
Starting Model: experimental
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This is version 1.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Steroid C26-monooxygenase | A [auth B], B [auth E] | 418 | Mycobacterium tuberculosis H37Rv | Mutation(s): 0 Gene Names: cyp142, cyp142A1, Rv3518c, MTV023.25c EC: 1.14.15.28 |  |
UniProt | |||||
Find proteins for P9WPL5 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WPL5 Go to UniProtKB: P9WPL5 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WPL5 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM Query on HEM | D [auth B], F [auth E] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| K2B (Subject of Investigation/LOI) Query on K2B | C [auth B], E | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE C27 H44 O NYOXRYYXRWJDKP-GYKMGIIDSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.09 Å
- R-Value Free: 0.236
- R-Value Work: 0.201
- R-Value Observed: 0.203
- Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 65.81 | α = 90 |
| b = 128.13 | β = 90 |
| c = 146.6 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| DIALS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
| Funding Organization | Location | Grant Number |
|---|---|---|
| Biotechnology and Biological Sciences Research Council (BBSRC) | United Kingdom | -- |
Revision History (Full details and data files)
- Version 1.0: 2023-07-05
Type: Initial release - Version 1.1: 2024-02-07
Changes: Data collection, Refinement description
