Crystal Structure of Beta-ketoacyl-ACP synthase III-2 (FabH2) (C113A) from Vibrio Cholerae co-crystallized with octanoyl-CoA
Components
3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2
Keywords
TRANSFERASE / FABH / BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III / octanoyl-CoA / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID
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
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: 2.16→50.01 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.94 / SU B: 8.316 / SU ML: 0.111 / Cross valid method: THROUGHOUT / ESU R: 0.224 / ESU R Free: 0.173 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2066
2042
4.8 %
RANDOM
Rwork
0.17385
-
-
-
obs
0.17543
40220
99.22 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å