Download MendeleyPantoate-beta-alanine ligase from Yersinia pestis.
Osipiuk, J., Maltseva, N., Kwon, K., Anderson, W.F., Joachimiak, A.To be published.
3Q12
Pantoate-beta-alanine ligase from Yersinia pestis in complex with pantoate.
- PDB DOI: https://doi.org/10.2210/pdb3Q12/pdb
- Classification: LIGASE
- Organism(s): Yersinia pestis
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2010-12-16 Released: 2011-02-02
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.58 ?
- R-Value Free: 0.195
- R-Value Work: 0.150
- R-Value Observed: 0.152
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 |
| Pantoate--beta-alanine ligase | 287 | Yersinia pestis | Mutation(s): 0 Gene Names: panC, y0785, YPO3402, YP_0283 EC: 6.3.2.1 |  | |
UniProt | |||||
Find proteins for Q8ZBK7 (Yersinia pestis) Explore Q8ZBK7 Go to UniProtKB: Q8ZBK7 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8ZBK7 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PAF Query on PAF | E [auth A], G [auth B], H [auth C], J [auth D] | PANTOATE C6 H11 O4 OTOIIPJYVQJATP-BYPYZUCNSA-M |  | ||
| CL Query on CL | F [auth A], I [auth C] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.58 ?
- R-Value Free: 0.195
- R-Value Work: 0.150
- R-Value Observed: 0.152
- Space Group: P 1
- Diffraction Data: https://doi.org/10.18430/m33q12
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 44.73 | ¦Á = 100.67 |
| b = 77.054 | ¦Â = 95.33 |
| c = 98.757 | ¦Ă = 94.43 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| SBC-Collect | data collection |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| MOLREP | phasing |
| HKL-3000 | phasing |
Entry History
Deposition Data
- Released Date: 2011-02-02 Deposition Author(s): Osipiuk, J., Maltseva, N., Kwon, K., Anderson, W.F., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Revision History (Full details and data files)
- Version 1.0: 2011-02-02
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2017-11-08
Changes: Refinement description - Version 1.3: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
