Structure of PDB 2eft Chain B Binding Site BS01

Receptor Information
>2eft Chain B (length=317) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYTKIIGTGSYLPEQVRTNADLEKMVDTSDEWIVTRTGIRERHIAAPNET
VSTMGFEAATRAIEMAGIEKDQIGLIVVATTSATHAFPSAACQIQSMLGI
KGCPAFDVAAACAGFTYALSVADQYVKSGAVKYALVVGSDVLARTCDPTD
RGTIIIFGDGAGAAVLAASEEPGIISTHLHADGSYGELLTLPNADRVNPE
NSIHLTMAGNEVFKVAVTELAHIVDETLAANNLDRSQLDWLVPHQANLRI
ISATAKKLGMSMDNVVVTLDRHGNTSAASVPCALDEAVRDGRIKPGQLVL
LEAFGGGFTWGSALVRF
Ligand information
Ligand IDMEE
InChIInChI=1S/CH4S/c1-2/h2H,1H3
InChIKeyLSDPWZHWYPCBBB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CS
ACDLabs 10.04SC
FormulaC H4 S
NameMETHANETHIOL
ChEMBL
DrugBank
ZINC
PDB chain2eft Chain B Residue 964 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2eft Alkyl-CoA Disulfides as Inhibitors and Mechanistic Probes for FabH Enzymes
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I100 K101 C103
Binding residue
(residue number reindexed from 1)		I100 K101 C103
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.180: beta-ketoacyl-[acyl-carrier-protein] synthase III.
Gene Ontology
Molecular Function
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016746 acyltransferase activity
GO:0033818 beta-ketoacyl-acyl-carrier-protein synthase III activity
Biological Process
GO:0006631 fatty acid metabolic process
GO:0006633 fatty acid biosynthetic process
GO:0044281 small molecule metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2eft, PDBe:2eft, PDBj:2eft
PDBsum2eft
PubMed17524982
UniProtP0A6R0|FABH_ECOLI Beta-ketoacyl-[acyl-carrier-protein] synthase III (Gene Name=fabH)

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