Download MendeleyStructure of a Rossmann-fold NAD(P)-binding family protein from Shigella flexneri.
Cuff, M.E., Xu, X., Cui, H., Edwards, A., Savchenko, A., Joachimiak, A.To be published.
3QVO | pdb_00003qvo
Structure of a Rossmann-fold NAD(P)-binding family protein from Shigella flexneri.
- PDB DOI: https://doi.org/10.2210/pdb3QVO/pdb
- Classification: STRUCTURAL GENOMICS, UNKNOWN FUNCTION
- Organism(s): Shigella flexneri 2a str. 2457T
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2011-02-25 Released: 2011-06-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.251 (Depositor), 0.243 (DCC)
- R-Value Work: 0.215 (Depositor), 0.216 (DCC)
- R-Value Observed: 0.217 (Depositor)
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 |
| NmrA family protein | 236 | Shigella flexneri 2a str. 2457T | Mutation(s): 0 Gene Names: S1416, SF2457T_2192 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MNB Query on MNB | B [auth A] | 5-MERCAPTO-2-NITRO-BENZOIC ACID C7 H5 N O4 S GANZODCWZFAEGN-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.251 (Depositor), 0.243 (DCC)
- R-Value Work: 0.215 (Depositor), 0.216 (DCC)
- R-Value Observed: 0.217 (Depositor)
Space Group: P 41 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 73.524 | α = 90 |
| b = 73.524 | β = 90 |
| c = 130.246 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SCALEPACK | data scaling |
| MLPHARE | phasing |
| DM | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| SBC-Collect | data collection |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| HKL-3000 | phasing |
| SHELXD | phasing |
| SHELXE | model building |
| SOLVE | phasing |
| RESOLVE | phasing |
| ARP/wARP | model building |
| CCP4 | phasing |
| O | model building |
| Coot | model building |
Entry History
Deposition Data
- Released Date: 2011-06-01 Deposition Author(s): Cuff, M.E., Xu, X., Cui, H., Edwards, A., Savchenko, A., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)
Revision History (Full details and data files)
- Version 1.0: 2011-06-01
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2018-10-03
Changes: Data collection - Version 1.3: 2024-11-06
Changes: Data collection, Database references, Derived calculations, Structure summary
