Download MendeleyCrystal structure of beta-ketoacyl-ACP synthase III (FabH) from Vibrio Cholerae in complex with Coenzyme A
Hou, J., Zheng, H., Langner, K., Anderson, W.F., Minor, W., Center for Structural Genomics of Infectious Diseases (CSGID)To be published.
4NHD
Crystal structure of beta-ketoacyl-ACP synthase III (FabH) from Vibrio Cholerae in complex with Coenzyme A
- PDB DOI: https://doi.org/10.2210/pdb4NHD/pdb
- Classification: TRANSFERASE
- Organism(s): Vibrio cholerae O1 biovar El Tor str. N16961
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2013-11-04 Released: 2013-12-25
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.78 Å
- R-Value Free: 0.196
- R-Value Work: 0.170
- R-Value Observed: 0.172
This is version 1.3 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 1 | 319 | Vibrio cholerae O1 biovar El Tor str. N16961 | Mutation(s): 0 Gene Names: fabH1, VC2023, VC_2023 EC: 2.3.1.180 |  | |
UniProt | |||||
Find proteins for Q9KQH5 (Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)) Explore Q9KQH5 Go to UniProtKB: Q9KQH5 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9KQH5 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| COA Query on COA | E [auth A], H [auth B], K [auth C], N [auth D] | COENZYME A C21 H36 N7 O16 P3 S RGJOEKWQDUBAIZ-IBOSZNHHSA-N |  | ||
| CA Query on CA | F [auth A] I [auth B] J [auth B] L [auth C] M [auth C] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
| NA Query on NA | G [auth A], Q [auth D], R [auth D] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| SCY Query on SCY | A, B, C, D | L-PEPTIDE LINKING | C5 H9 N O3 S |  | CYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.78 Å
- R-Value Free: 0.196
- R-Value Work: 0.170
- R-Value Observed: 0.172
- Space Group: P 21 21 21
- Diffraction Data: https://doi.org/10.18430/M3CC7S
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 99.449 | α = 90 |
| b = 100.248 | β = 90 |
| c = 132.763 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| MOLREP | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
Entry History
Deposition Data
- Released Date: 2013-12-25 Deposition Author(s): Hou, J., Zheng, H., Langner, K., Anderson, W.F., Minor, W., Center for Structural Genomics of Infectious Diseases (CSGID)
Revision History (Full details and data files)
- Version 1.0: 2013-12-25
Type: Initial release - Version 1.1: 2017-11-15
Changes: Refinement description - Version 1.2: 2022-04-13
Changes: Database references, Derived calculations, Structure summary - Version 1.3: 2023-09-20
Changes: Data collection, Refinement description
