Download MendeleyCrystal Structure and Kinetics Studies on Ser305Ala variant of KatG from HALOARCULA MARISMORTUI and its Complexes with Inhibitor SHA
Sato, T., Higuchi, W., Yoshimatsu, K., Fujiwara, T.To be published.
3VLL
Crystal Structure Analysis of the Ser305Ala variant of KatG from HALOARCULA MARISMORTUI Complexes with Inhibitor SHA
- PDB DOI: https://doi.org/10.2210/pdb3VLL/pdb
- Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
- 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: 2.00 ?
- R-Value Free: 0.271
- R-Value Work: 0.247
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 |  | ||
| SHA Query on SHA | D [auth A], F [auth B] | SALICYLHYDROXAMIC ACID C7 H7 N O3 HBROZNQEVUILML-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 ?
- R-Value Free: 0.271
- R-Value Work: 0.247
- Space Group: C 1 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 150.187 | ¦Á = 90 |
| b = 76.32 | ¦Â = 92.32 |
| c = 140.235 | ¦Ă = 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
