- PDB-4x9o: Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cho... -
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Basic information
Entry
Database: PDB / ID: 4x9o
Title
Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae soaked with octanoyl-CoA: conformational changes without clearly bound substrate
Components
3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2
Keywords
TRANSFERASE / STRUCTURAL GENOMICS / CENTER FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEASES / CSGID / FabH / beta-ketoacyl-acyl carrier protein synthase III
Function / homology
Function and homology information
beta-ketoacyl-[acyl-carrier-protein] synthase III / beta-ketoacyl-acyl-carrier-protein synthase III activity / 3-oxoacyl-[acyl-carrier-protein] synthase activity / fatty acid biosynthetic process / cytoplasm Similarity search - Function
3-oxoacyl-[acyl-carrier-protein] synthase 3 / 3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III / 3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III / 3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III, C-terminal / 3-Oxoacyl-[acyl-carrier-protein (ACP)] synthase III C terminal / Thiolase/Chalcone synthase / Peroxisomal Thiolase; Chain A, domain 1 / Thiolase-like / 3-Layer(aba) Sandwich / Alpha Beta Similarity search - Domain/homology
Component-ID: _ / Ens-ID: 1 / Beg auth comp-ID: GLN / Beg label comp-ID: GLN / End auth comp-ID: SER / End label comp-ID: SER / Refine code: _ / Auth seq-ID: 3 - 350 / Label seq-ID: 3 - 350
Dom-ID
Auth asym-ID
Label asym-ID
1
A
A
2
B
B
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Components
#1: Protein
3-oxoacyl-[acyl-carrier-protein] synthase3protein2 / 3-oxoacyl-[acyl-carrier-protein] synthase III protein 2 / Beta-ketoacyl-ACP synthase III 2 / KAS III 2
Mass: 39036.117 Da / Num. of mol.: 2 / Mutation: C113A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961) (bacteria) Strain: ATCC 39315 / El Tor Inaba N16961 / Gene: fabH2, VC_A0751 / Plasmid: pMCSG7 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21-CodonPlus(DE3)-RIL References: UniProt: Q9KLJ3, beta-ketoacyl-[acyl-carrier-protein] synthase III
Resolution: 2.3→28 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.94 / SU B: 14.67 / SU ML: 0.165 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.302 / ESU R Free: 0.218 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: U VALUES: WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2325
1459
4.8 %
RANDOM
Rwork
0.1952
28909
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obs
0.197
28922
96.43 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
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