Download MendeleyCrystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,2-dichloroethane
Mazumdar, P.A., Hulecki, J., Cherney, M.M., Garen, C.R., James, M.N.G.To be published.
2O2H | pdb_00002o2h
Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,2-dichloroethane
- PDB DOI: https://doi.org/10.2210/pdb2O2H/pdb
- Classification: HYDROLASE
- Organism(s): Mycobacterium tuberculosis H37Rv
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2006-11-29 Released: 2007-11-13
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.60 Å
- R-Value Free: 0.173 (Depositor), 0.180 (DCC)
- R-Value Work: 0.143 (Depositor), 0.160 (DCC)
- R-Value Observed: 0.145 (Depositor)
Starting Model: experimental
View more details
wwPDB Validation 3D Report Full Report
This is version 1.3 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 |
| Haloalkane dehalogenase 3 | 300 | Mycobacterium tuberculosis H37Rv | Mutation(s): 0 Gene Names: dhaA EC: 3.8.1.5 |  | |
UniProt | |||||
Find proteins for P9WMR9 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WMR9 Go to UniProtKB: P9WMR9 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WMR9 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| DCE Query on DCE | D [auth A] | 1,2-DICHLOROETHANE C2 H4 Cl2 WSLDOOZREJYCGB-UHFFFAOYSA-N |  | ||
| ACT Query on ACT | C [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
| CL Query on CL | B [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.60 Å
- R-Value Free: 0.173 (Depositor), 0.180 (DCC)
- R-Value Work: 0.143 (Depositor), 0.160 (DCC)
- R-Value Observed: 0.145 (Depositor)
Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 62.12 | α = 90 |
| b = 64.46 | β = 90 |
| c = 134.21 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| PHASER | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| Blu-Ice | data collection |
| HKL-2000 | data reduction |
Entry History
Deposition Data
- Released Date: 2007-11-13 Deposition Author(s): Mazumdar, P.A., Hulecki, J., Cherney, M.M., Garen, C.R., James, M.N.G., TB Structural Genomics Consortium (TBSGC)
Revision History (Full details and data files)
- Version 1.0: 2007-11-13
Type: Initial release - Version 1.1: 2011-07-13
Changes: Source and taxonomy, Version format compliance - Version 1.2: 2017-10-18
Changes: Refinement description - Version 1.3: 2023-08-30
Changes: Data collection, Database references, Derived calculations, Refinement description
