Structure of PDB 3ulk Chain A Binding Site BS02

Receptor Information
>3ulk Chain A (length=489) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGL
NQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQAD
LVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVV
MVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGG
HRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYA
EKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLF
QKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIG
EQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANT
IARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPE
GAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAV
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 chain3ulk Chain A Residue 498 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ulk Bacterial and plant ketol-acid reductoisomerases have different mechanisms of induced fit during the catalytic cycle
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D217 E389 E393
Binding residue
(residue number reindexed from 1)		D217 E389 E393
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K155 D217 E221
Catalytic site (residue number reindexed from 1) K155 D217 E221
Enzyme Commision number 1.1.1.86: ketol-acid reductoisomerase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004455 ketol-acid reductoisomerase activity
GO:0008677 2-dehydropantoate 2-reductase activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0050661 NADP binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009082 branched-chain amino acid biosynthetic process
GO:0009097 isoleucine biosynthetic process
GO:0009099 L-valine biosynthetic process
GO:0015940 pantothenate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ulk, PDBe:3ulk, PDBj:3ulk
PDBsum3ulk
PubMed23036858
UniProtP05793|ILVC_ECOLI Ketol-acid reductoisomerase (NADP(+)) (Gene Name=ilvC)

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