Download MendeleyHigh-resolution crystal structure of CYP199A4 bound to 4-ethylbenzoic acid
Podgorski, M.N., Bell, S.G.To be published.
7R8T
High-resolution crystal structure of CYP199A4 bound to 4-ethylbenzoic acid
- PDB DOI: https://doi.org/10.2210/pdb7R8T/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Rhodopseudomonas palustris HaA2
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2021-06-27 Released: 2022-06-29
- Funding Organization(s): Australian Research Council (ARC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.37 ?
- R-Value Free: 0.180
- R-Value Work: 0.153
- R-Value Observed: 0.154
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 |  | ||
| EGM (Subject of Investigation/LOI) Query on EGM | C [auth A] | 4-ethylbenzoic acid C9 H10 O2 ZQVKTHRQIXSMGY-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: 1.37 ?
- R-Value Free: 0.180
- R-Value Work: 0.153
- R-Value Observed: 0.154
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 44.27 | ¦Á = 90 |
| b = 51.4 | ¦Â = 91.95 |
| c = 79.197 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
- Released Date: 2022-06-29 Deposition Author(s): Podgorski, M.N., Bell, S.G.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Australian Research Council (ARC) | Australia | -- |
Revision History (Full details and data files)
- Version 1.0: 2022-06-29
Type: Initial release - Version 1.1: 2023-10-18
Changes: Data collection, Refinement description
