Structure of PDB 2vb8 Chain A

Receptor sequence
>2vb8A (length=403) Species: 562 (Escherichia coli) [Search protein sequence]
KRAVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMRSHVWGN
VKLDTTGLIDRKVVRFMSDASIYAFLSMEQAIADAGLSPEAYQNNPRVGL
IAGSGGGSPRFQVFGADAMRGPRGLKAVGPYVVTKAMASGVSACLATPFK
IHGVNYSISSACATSAHCIGNAVEQIQLGKQDIVFAGGGEELCWEMACEF
DAMGALSTKYNDTPEKASRTYDAHRDGFVIAGGGGMVVVEELEHALARGA
HIYAEIVGYGATSDGADMVAPSGEGAVRCMKMAMHGVDTPIDYLNSHGTS
TPVGDVKELAAIREVFGDKSPAISATKAMTGHSLGAAGVQEAIYSLLMLE
HGFIAPSINIEELDEQAAGLNIVTETTDRELTTVMSNSFGFGGTNATLVM
RKL
3D structure
PDB2vb8 Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis.
ChainA
Resolution1.52 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) C163 H298 E309 K328 H333 F390 F392
Catalytic site (residue number reindexed from 1) C162 H297 E308 K327 H332 F389 F391
Enzyme Commision number 2.3.1.41: beta-ketoacyl-[acyl-carrier-protein] synthase I.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 TLM A C163 F229 M269 V270 A271 P272 H298 T300 H333 F390 G391 F392 G394 C162 F228 M268 V269 A270 P271 H297 T299 H332 F389 G390 F391 G393 PDBbind-CN: -logKd/Ki=4.60,Kd=25uM
BindingDB: IC50=12000nM
Gene Ontology
Molecular Function
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0044281 small molecule metabolic process
GO:1903966 monounsaturated fatty acid biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Biological Process
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Cellular Component
External links
PDB RCSB:2vb8, PDBe:2vb8, PDBj:2vb8
PDBsum2vb8
PubMed18084068
UniProtP0A953|FABB_ECOLI 3-oxoacyl-[acyl-carrier-protein] synthase 1 (Gene Name=fabB)

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