Download MendeleyCrystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei in complex with 12-hydroxydodecanoic acid
Jiang, Y., Cong, Z.To be published.
8HGE
Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei in complex with 12-hydroxydodecanoic acid
- PDB DOI: https://doi.org/10.2210/pdb8HGE/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Marinobacter nauticus
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2022-11-14 Released: 2023-11-22
- Funding Organization(s): National Natural Science Foundation of China (NSFC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.53 ?
- R-Value Free: 0.187
- R-Value Work: 0.160
- R-Value Observed: 0.161
This is version 1.0 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 |
| Cytochrome P450 | A [auth B] | 480 | Marinobacter nauticus | Mutation(s): 1 Gene Names: DET51_1164 |  |
UniProt | |||||
Find proteins for A0A368UNN3 (Marinobacter nauticus) Explore A0A368UNN3 Go to UniProtKB: A0A368UNN3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A368UNN3 | ||||
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 | B | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| 12H (Subject of Investigation/LOI) Query on 12H | C [auth B] | 12-HYDROXYDODECANOIC ACID C12 H24 O3 ZDHCZVWCTKTBRY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.53 ?
- R-Value Free: 0.187
- R-Value Work: 0.160
- R-Value Observed: 0.161
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 44.522 | ¦Á = 90 |
| b = 103.568 | ¦Â = 112.19 |
| c = 52.738 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-3000 | data scaling |
| HKL-3000 | data reduction |
| PHENIX | phasing |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Natural Science Foundation of China (NSFC) | China | 21977104 |
Revision History (Full details and data files)
- Version 1.0: 2023-11-22
Type: Initial release
