Download MendeleyBeta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae soaked with octanoyl-CoA: hydrolzed ligand
Center for Structural Genomics of Infectious Diseases (CSGID), Hou, J., Zheng, H., Grabowski, M., Anderson, W.F.To be published.
5KP2
Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae cocrystallized with octanoyl-CoA: hydrolzed ligand
- PDB DOI: https://doi.org/10.2210/pdb5KP2/pdb
- Classification: TRANSFERASE
- Organism(s): Vibrio cholerae O1 biovar El Tor str. N16961
- Expression System: Escherichia coli BL21
- Mutation(s): Yes
- Deposited: 2016-07-01 Released: 2016-07-20
- Funding Organization(s): Department of Health & Human Services (HHS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.221
- R-Value Work: 0.194
- R-Value Observed: 0.195
This is version 1.4 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 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| COA Query on COA | C [auth B] | COENZYME A C21 H36 N7 O16 P3 S RGJOEKWQDUBAIZ-IBOSZNHHSA-N |  | ||
| OCA Query on OCA | D [auth B] | OCTANOIC ACID (CAPRYLIC ACID) C8 H16 O2 WWZKQHOCKIZLMA-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.221
- R-Value Work: 0.194
- R-Value Observed: 0.195
- Space Group: P 1 21 1
- Diffraction Data: https://doi.org/10.18430/M35KP2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 84.67 | α = 90 |
| b = 61.242 | β = 94.67 |
| c = 71.524 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-3000 | data collection |
| HKL-3000 | data scaling |
| MOLREP | phasing |
| PDB_EXTRACT | data extraction |
| HKL-3000 | data reduction |
Entry History & Funding Information
Deposition Data
- Released Date: 2016-07-20 Deposition Author(s): Hou, J., Zheng, H., Grabowski, M., Anderson, W.F., Minor, W., Center for Structural Genomics of Infectious Diseases (CSGID)
| Funding Organization | Location | Grant Number |
|---|---|---|
| Department of Health & Human Services (HHS) | United States | HHSN272200700058C |
| Department of Health & Human Services (HHS) | United States | HHSN272201200026C |
Revision History (Full details and data files)
- Version 1.0: 2016-07-20
Type: Initial release - Version 1.1: 2017-09-20
Changes: Author supporting evidence, Derived calculations - Version 1.2: 2022-03-23
Changes: Author supporting evidence, Data collection, Database references - Version 1.3: 2022-04-13
Changes: Structure summary - Version 1.4: 2023-10-04
Changes: Data collection, Refinement description
