Download MendeleyCrystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with Z30857828
Robinson, D.A., Gray, D.W.G.To be published.
8B72
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with Z30857828
- PDB DOI: https://doi.org/10.2210/pdb8B72/pdb
- Classification: LYASE
- Organism(s): Pseudomonas aeruginosa
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2022-09-28 Released: 2022-10-19
- Funding Organization(s): Medical Research Council (MRC, United Kingdom)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.87 Å
- R-Value Free: 0.226
- R-Value Work: 0.186
- R-Value Observed: 0.188
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 |
| 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase | 171 | Pseudomonas aeruginosa | Mutation(s): 0 Gene Names: fabA, PA1610 EC: 4.2.1.59 (PDB Primary Data), 5.3.3.14 (PDB Primary Data) |  | |
UniProt | |||||
Find proteins for O33877 (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)) Explore O33877 Go to UniProtKB: O33877 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O33877 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| M25 (Subject of Investigation/LOI) Query on M25 | F [auth B] | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE C10 H14 N2 O3 S IIMGUEXQORZTID-UHFFFAOYSA-N |  | ||
| DMS Query on DMS | G [auth B], H [auth C] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.87 Å
- R-Value Free: 0.226
- R-Value Work: 0.186
- R-Value Observed: 0.188
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 113.254 | α = 90 |
| b = 142.382 | β = 114.05 |
| c = 78.236 | γ = 90 |
| Software Name | Purpose |
|---|---|
| XDS | data reduction |
| Aimless | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2022-10-19 Deposition Author(s): Robinson, D.A., Moynie, L., Naismith, J.H., Gray, D.W.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Medical Research Council (MRC, United Kingdom) | United Kingdom | -- |
Revision History (Full details and data files)
- Version 1.0: 2022-10-19
Type: Initial release - Version 1.1: 2024-01-31
Changes: Data collection, Refinement description
