Download MendeleyThe crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid
Coleman, T., Zhang, T., Qiao, R., Zhou, W., Beii, S.To be published.
5YQA
The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid
- PDB DOI: https://doi.org/10.2210/pdb5YQA/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Rhodopseudomonas palustris HaA2
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2017-11-06 Released: 2019-02-27
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.38 Å
- R-Value Free: 0.196
- R-Value Work: 0.178
- R-Value Observed: 0.179
Starting Model: experimental
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This is version 1.1 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 | 410 | Rhodopseudomonas palustris HaA2 | Mutation(s): 0 Gene Names: RPB_3613 |  | |
UniProt | |||||
Find proteins for Q2IU02 (Rhodopseudomonas palustris (strain HaA2)) Explore Q2IU02 Go to UniProtKB: Q2IU02 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q2IU02 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM Query on HEM | B [auth A] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| 8ZU Query on 8ZU | C [auth A] | 4-propylbenzoic acid C10 H12 O2 ATZHGRNFEFVDDJ-UHFFFAOYSA-N |  | ||
| CL Query on CL | D [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.38 Å
- R-Value Free: 0.196
- R-Value Work: 0.178
- R-Value Observed: 0.179
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 43.86 | α = 90 |
| b = 51.377 | β = 92.07 |
| c = 79.588 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2019-02-27 Deposition Author(s): Zhou, W., Zhang, T., Qiao, R., Bell, S., Coleman, T.
Revision History (Full details and data files)
- Version 1.0: 2019-02-27
Type: Initial release - Version 1.1: 2023-11-22
Changes: Data collection, Database references, Refinement description
