Download MendeleyCrystal Structure of Rv3628: An Inorganic Pyrophosphatase from Mycobacterium Tuberculosis
Cole, R.E., Cianci, M., Hall, J.F., Matsuda, T., Kigawa, T., Yokoyama, S., Hasnain, S.S., Tabernero, L.To be published.
2UXS
2.7A crystal structure of inorganic pyrophosphatase (Rv3628) from Mycobacterium tuberculosis at pH 7.5
- PDB DOI: https://doi.org/10.2210/pdb2UXS/pdb
- Classification: HYDROLASE
- Organism(s): Mycobacterium tuberculosis H37Rv
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2007-03-29 Released: 2008-05-27
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.70 Å
- R-Value Free: 0.274
- R-Value Work: 0.232
- R-Value Observed: 0.234
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 |
| INORGANIC PYROPHOSPHATASE | 169 | Mycobacterium tuberculosis H37Rv | Mutation(s): 0 EC: 3.6.1.1 |  | |
UniProt | |||||
Find proteins for P9WI55 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WI55 Go to UniProtKB: P9WI55 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WI55 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PO4 Query on PO4 | D [auth A], E [auth B], F [auth C] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.70 Å
- R-Value Free: 0.274
- R-Value Work: 0.232
- R-Value Observed: 0.234
- Space Group: P 32 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 102.022 | α = 90 |
| b = 102.022 | β = 90 |
| c = 80.812 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2008-05-27 Deposition Author(s): Cole, R.E., Cianci, M., Hall, J.F., Matsuda, T., Kigawa, T., Yokoyama, S., Hasnain, S.S., Tabernero, L.
Revision History (Full details and data files)
- Version 1.0: 2008-05-27
Type: Initial release - Version 1.1: 2011-05-08
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2023-12-13
Changes: Data collection, Database references, Other, Refinement description
