Download MendeleyCrystal Structures and Peroxidatic Function of Cyanide Arg409Leu Variant and its Complexes with o-Dianisidine in KatG from HALOARCULA MARISMORTUI
Sato, T., Higuchi, W., Yoshimatsu, K., Fujiwara, T.To be published.
3VLI
Crystal Structure Analysis of the Cyanide Arg409Leu Variant KatG from HALOARCULA MARISMORTUI
- PDB DOI: https://doi.org/10.2210/pdb3VLI/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Haloarcula marismortui ATCC 43049
- Expression System: Haloferax volcanii
- Mutation(s): Yes
- Deposited: 2011-12-01 Released: 2012-12-05
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.234
- R-Value Work: 0.218
- R-Value Observed: 0.218
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 |
| Catalase-peroxidase 2 | 737 | Haloarcula marismortui ATCC 43049 | Mutation(s): 1 Gene Names: katG2 EC: 1.11.1.21 |  | |
UniProt | |||||
Find proteins for O59651 (Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)) Explore O59651 Go to UniProtKB: O59651 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O59651 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM Query on HEM | C [auth A], E [auth B] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| CYN Query on CYN | D [auth A], F [auth B] | CYANIDE ION C N XFXPMWWXUTWYJX-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.234
- R-Value Work: 0.218
- R-Value Observed: 0.218
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 315.883 | α = 90 |
| b = 81.426 | β = 99.72 |
| c = 75.576 | γ = 90 |
| Software Name | Purpose |
|---|---|
| ADSC | data collection |
| CNS | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2012-12-05 Deposition Author(s): Sato, T., Higuchi, W., Yoshimatsu, K., Fujiwara, T.
Revision History (Full details and data files)
- Version 1.0: 2012-12-05
Type: Initial release - Version 1.1: 2024-03-20
Changes: Data collection, Database references, Derived calculations
