Download MendeleyStructural determination of the CYP154E1 cytochrome P450 from Thermobifida fusca YX
Bikbaev, K., Hoelzel, S., Urlacher, V., Span, I.To be published.
8RTV | pdb_00008rtv
Crystal structure of CYP154E1 from Thermobifida fusca YX in complex with 4-Phenylimidazole
- PDB DOI: https://doi.org/10.2210/pdb8RTV/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Thermobifida fusca YX
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2024-01-29 Released: 2025-02-12
- Funding Organization(s): German Federal Ministry for Education and Research
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.271 (Depositor), 0.271 (DCC)
- R-Value Work: 0.218 (Depositor), 0.219 (DCC)
Starting Model: experimental
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This is version 1.0 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Cytochrome P450-family protein | 395 | Thermobifida fusca YX | Mutation(s): 0 Gene Names: Tfu_2976 |  | |
UniProt | |||||
Find proteins for Q47KL3 (Thermobifida fusca (strain YX)) Explore Q47KL3 Go to UniProtKB: Q47KL3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q47KL3 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM (Subject of Investigation/LOI) Query on HEM | C [auth A], E [auth B] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| 231 (Subject of Investigation/LOI) Query on 231 | D [auth A], F [auth B] | 4-PHENYL-1H-IMIDAZOLE C9 H8 N2 XHLKOHSAWQPOFO-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.271 (Depositor), 0.271 (DCC)
- R-Value Work: 0.218 (Depositor), 0.219 (DCC)
Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 62.334 | α = 90 |
| b = 97.176 | β = 90 |
| c = 135.688 | γ = 90 |
| Software Name | Purpose |
|---|---|
| Aimless | data scaling |
| REFMAC | refinement |
| MOLREP | phasing |
| Coot | model building |
| XDS | data reduction |
| BUCCANEER | model building |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-02-12 Deposition Author(s): Bikbaev, K., Hoelzel, S., Urlacher, V., Span, I.
| Funding Organization | Location | Grant Number |
|---|---|---|
| German Federal Ministry for Education and Research | Germany | 031A223A |
Revision History (Full details and data files)
- Version 1.0: 2025-02-12
Type: Initial release
