Structure of PDB 4iwh Chain B Binding Site BS01

Receptor Information
>4iwh Chain B (length=355) Species: 271848 (Burkholderia thailandensis E264) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIAVLPGDGIGPEIVNEAVKVLNALDEKFELEHAPVGGAGYEASGHPLP
DATLALAKEADAILFGAVGDWKYDSLERALRPEQAILGLRKHLELFANFR
PAICYPQLVDASPLKPELVAGLDILIVRELNGDIYFGQPRGVRAAPDGPF
AGEREGFDTMRYSEPEVRRIAHVAFQAAQKRAKKLLSVDKSNVLETSQFW
RDVMIDVSKEYADVELSHMYVDNAAMQLAKAPKQFDVIVTGNMFGDILSD
EASMLTGSIGMLPSASLDKNNKGLYEPSHGSAPDIAGKGIANPLATILSA
AMLLRYSLNRAEQADRIERAVKTVLEQGYRTGDIATPGCRQVGTAAMGDA
VVAAL
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 chain4iwh Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4iwh Crystal structure of a 3-isopropylmalate dehydrogenase from Burkholderia pseudomallei
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D246 D250
Binding residue
(residue number reindexed from 1)		D246 D250
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y135 K190 D222 D246 D250
Catalytic site (residue number reindexed from 1) Y135 K190 D222 D246 D250
Enzyme Commision number 1.1.1.85: 3-isopropylmalate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003862 3-isopropylmalate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding
GO:0051287 NAD binding
Biological Process
GO:0009098 L-leucine biosynthetic 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:4iwh, PDBe:4iwh, PDBj:4iwh
PDBsum4iwh
PubMed
UniProtQ2T7H6|LEU3_BURTA 3-isopropylmalate dehydrogenase (Gene Name=leuB)

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