Download MendeleyStructural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae
Hou, J., Chruszcz, M., Zheng, H., Grabowski, M., Chordia, M.D., Anderson, W.F., Minor, W.To be published.
4X9K
Beta-ketoacyl-acyl carrier protein synthase III-2 (FabH2)(C113A) from Vibrio cholerae
- PDB DOI: https://doi.org/10.2210/pdb4X9K/pdb
- Classification: TRANSFERASE
- Organism(s): Vibrio cholerae O1 biovar El Tor str. N16961
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2014-12-11 Released: 2014-12-24
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.61 Å
- R-Value Free: 0.176
- R-Value Work: 0.152
- R-Value Observed: 0.153
wwPDB Validation 3D Report Full Report
This is version 1.6 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-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2 | 362 | Vibrio cholerae O1 biovar El Tor str. N16961 | Mutation(s): 1 Gene Names: fabH2, VC_A0751 EC: 2.3.1.180 |  | |
UniProt | |||||
Find proteins for Q9KLJ3 (Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)) Explore Q9KLJ3 Go to UniProtKB: Q9KLJ3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9KLJ3 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MLI Query on MLI | D [auth A] | MALONATE ION C3 H2 O4 OFOBLEOULBTSOW-UHFFFAOYSA-L |  | ||
| GOL Query on GOL | C [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| NA Query on NA | B [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.61 Å
- R-Value Free: 0.176
- R-Value Work: 0.152
- R-Value Observed: 0.153
- Space Group: P 21 21 2
- Diffraction Data: https://doi.org/10.18430/M3JP49
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 85.459 | α = 90 |
| b = 61.521 | β = 90 |
| c = 69.676 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-3000 | data reduction |
| MOLREP | phasing |
| PDB_EXTRACT | data extraction |
| HKL-3000 | data scaling |
Entry History & Funding Information
Deposition Data
- Released Date: 2014-12-24 Deposition Author(s): Hou, J., Chruszcz, M., Zheng, H., Grabowski, M., Chordia, M.D., Anderson, W.F., Minor, W., Center for Structural Genomics of Infectious Diseases (CSGID)
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | HHSN272200700058C |
Revision History (Full details and data files)
- Version 1.0: 2014-12-24
Type: Initial release - Version 1.1: 2015-01-07
Changes: Database references, Structure summary - Version 1.2: 2015-10-14
Changes: Data collection - Version 1.3: 2017-09-20
Changes: Author supporting evidence, Derived calculations - Version 1.4: 2019-12-25
Changes: Author supporting evidence - Version 1.5: 2022-04-13
Changes: Database references, Derived calculations, Structure summary - Version 1.6: 2023-09-27
Changes: Data collection, Refinement description
