Download MendeleyCrystal structure of enoyl ACP reductase from Burkholderia pseudomallei in complex with AFN-1252
Rao, N.K., Sarah, J., Anirudha, L., Subramanya, H.S.To be published.
4RLH
Crystal structure of enoyl ACP reductase from Burkholderia pseudomallei in complex with AFN-1252
- PDB DOI: https://doi.org/10.2210/pdb4RLH/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Burkholderia pseudomallei K96243
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2014-10-17 Released: 2015-12-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.26 Å
- R-Value Free: 0.250
- R-Value Work: 0.167
- R-Value Observed: 0.171
Starting Model: experimental
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This is version 1.1 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 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] | A, B, C [auth D], D [auth C] | 272 | Burkholderia pseudomallei K96243 | Mutation(s): 0 Gene Names: fabI, BPSL2204 EC: 1.3.1.9 |  |
UniProt | |||||
Find proteins for Q63SW7 (Burkholderia pseudomallei (strain K96243)) Explore Q63SW7 Go to UniProtKB: Q63SW7 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q63SW7 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 0WE Query on 0WE | E [auth A], F [auth B], G [auth D], H [auth C] | N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide C22 H23 N3 O3 WDNCPCMRTFYNIQ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.26 Å
- R-Value Free: 0.250
- R-Value Work: 0.167
- R-Value Observed: 0.171
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 134.795 | α = 90 |
| b = 63.445 | β = 107.08 |
| c = 121.848 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CrystalClear | data collection |
| MOLREP | phasing |
| REFMAC | refinement |
| DENZO | data reduction |
| SCALEPACK | data scaling |
Entry History
Deposition Data
- Released Date: 2015-12-09 Deposition Author(s): Rao, K.N., Sarah, J., Anirudha, L., Subramanya, H.S.
Revision History (Full details and data files)
- Version 1.0: 2015-12-09
Type: Initial release - Version 1.1: 2023-09-20
Changes: Data collection, Database references, Derived calculations, Refinement description
