Download MendeleyThe crystal structure of 4-cyclohexylbenzoate-bound CYP199A4
Coleman, T., Bruning, J.B., Bell, S.G.To be published.
6C2D | pdb_00006c2d
The crystal structure of 4-cyclohexylbenzoate-bound CYP199A4
- PDB DOI: https://doi.org/10.2210/pdb6C2D/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Rhodopseudomonas palustris HaA2
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2018-01-08 Released: 2019-01-16
- Funding Organization(s): Australian Research Council (ARC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.79 Å
- R-Value Free: 0.186 (Depositor), 0.190 (DCC)
- R-Value Work: 0.145 (Depositor), 0.150 (DCC)
- R-Value Observed: 0.147 (Depositor)
Starting Model: experimental
View more details
This is version 1.2 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 | 393 | 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 | C [auth A] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| EH1 Query on EH1 | D [auth A] | 4-cyclohexylbenzoic acid C13 H16 O2 QCIWHVKGVVQHIY-UHFFFAOYSA-N |  | ||
| CL Query on CL | B [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.79 Å
- R-Value Free: 0.186 (Depositor), 0.190 (DCC)
- R-Value Work: 0.145 (Depositor), 0.150 (DCC)
- R-Value Observed: 0.147 (Depositor)
Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 44.145 | α = 90 |
| b = 51.438 | β = 91.97 |
| c = 79.673 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| MOSFLM | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-01-16 Deposition Author(s): Coleman, T., Bruning, J.B., Bell, S.G.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Australian Research Council (ARC) | Australia | DP140103229 |
Revision History (Full details and data files)
- Version 1.0: 2019-01-16
Type: Initial release - Version 1.1: 2020-01-01
Changes: Author supporting evidence - Version 1.2: 2023-10-04
Changes: Data collection, Database references, Refinement description
