Download MendeleyCrystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and Triclosan
Rani, S.T., Nataraj, V., Laxminarasimhan, A., Thomas, A., Krishnamurthy, N.To be published.
6AH9
Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and Triclosan
- PDB DOI: https://doi.org/10.2210/pdb6AH9/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Acinetobacter baumannii ATCC 19606 = CIP 70.34 = JCM 6841
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2018-08-17 Released: 2019-08-21
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.74 Å
- R-Value Free: 0.241
- R-Value Work: 0.195
- R-Value Observed: 0.198
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] | 267 | Acinetobacter baumannii ATCC 19606 = CIP 70.34 = JCM 6841 | Mutation(s): 0 Gene Names: NC_009085.1 EC: 1.3.1.9 |  | |
UniProt | |||||
Find proteins for D0CAD5 (Acinetobacter baumannii (strain ATCC 19606 / DSM 30007 / JCM 6841 / CCUG 19606 / CIP 70.34 / NBRC 109757 / NCIMB 12457 / NCTC 12156 / 81)) Explore D0CAD5 Go to UniProtKB: D0CAD5 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | D0CAD5 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAD Query on NAD | B [auth A] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N |  | ||
| TCL Query on TCL | C [auth A] | TRICLOSAN C12 H7 Cl3 O2 XEFQLINVKFYRCS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.74 Å
- R-Value Free: 0.241
- R-Value Work: 0.195
- R-Value Observed: 0.198
- Space Group: I 2 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 77.212 | α = 90 |
| b = 77.245 | β = 90 |
| c = 85.207 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| SCALEPACK | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2019-08-21 Deposition Author(s): Rani, S.T., Nataraj, V., Laxminarasimhan, A., Thomas, A., Krishnamurthy, N.
Revision History (Full details and data files)
- Version 1.0: 2019-08-21
Type: Initial release - Version 1.1: 2023-11-22
Changes: Data collection, Database references, Refinement description
