Structure of PDB 3osu Chain A Binding Site BS01

Receptor Information
>3osu Chain A (length=246) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKMTKSALVTGASRGIGRSIALQLAEEGYNVAVNYAGSKEKAEAVVEEIK
AKGVDSFAIQANVADADEVKAMIKEVVSQFGSLDVLVNNAGITRDNLLMR
MKEQEWDDVIDTNLKGVFNCIQKATPQMLRQRSGAIINLSSVVGAVGNPG
QANYVATKAGVIGLTKSAARELASRGITVNAVAPGFIVSDMTDALSDELK
EQMLTQIPLARFGQDTDIANTVAFLASDKAKYITGQTIHVNGGMYM
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3osu Chain A Residue 257 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3osu Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, FabG, from Staphylococcus aureus
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N89 K158
Binding residue
(residue number reindexed from 1)		N89 K158
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G15 S141 Q151 Y154 K158
Catalytic site (residue number reindexed from 1) G15 S141 Q151 Y154 K158
Enzyme Commision number 1.1.1.100: 3-oxoacyl-[acyl-carrier-protein] reductase.
Gene Ontology
Molecular Function
GO:0004316 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
GO:0016491 oxidoreductase activity
GO:0051287 NAD binding
Biological Process
GO:0006633 fatty acid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3osu, PDBe:3osu, PDBj:3osu
PDBsum3osu
PubMed
UniProtP0A0H9|FABG_STAAM 3-oxoacyl-[acyl-carrier-protein] reductase FabG (Gene Name=fabG)

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