Download MendeleyDehaloperoxidase B from Amphitrite ornata: benzotriazole complex
Chicano, T.M., Hough, M.A.To be published.
5LLZ
Dehaloperoxidase B from Amphitrite ornata: benzotriazole complex
- PDB DOI: https://doi.org/10.2210/pdb5LLZ/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Amphitrite ornata
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2016-07-28 Released: 2017-08-16
- Funding Organization(s): Leverhulme Trust
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.14 ?
- R-Value Free: 0.179
- R-Value Work: 0.144
- R-Value Observed: 0.145
Starting Model: experimental
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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 |
| Dehaloperoxidase B | 137 | Amphitrite ornata | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for Q9NAV7 (Amphitrite ornata) Explore Q9NAV7 Go to UniProtKB: Q9NAV7 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9NAV7 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM Query on HEM | C [auth A], F [auth B] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| 0CT Query on 0CT | G [auth B] | 1H-benzotriazole C6 H5 N3 QRUDEWIWKLJBPS-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | D [auth A], E [auth A], H [auth B], I [auth B], J [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.14 ?
- R-Value Free: 0.179
- R-Value Work: 0.144
- R-Value Observed: 0.145
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 60.68 | ¦Á = 90 |
| b = 67.07 | ¦Â = 90 |
| c = 69.01 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| Aimless | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2017-08-16 Deposition Author(s): Chicano, T.M., Dworkowski, F.S.N., Hough, M.A.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Leverhulme Trust | United Kingdom | RPG-2014-355 |
Revision History (Full details and data files)
- Version 1.0: 2017-08-16
Type: Initial release - Version 1.1: 2018-12-19
Changes: Author supporting evidence, Data collection, Derived calculations - Version 1.2: 2024-01-10
Changes: Advisory, Data collection, Database references, Refinement description
