Structure of PDB 3fr7 Chain B Binding Site BS01

Receptor Information
>3fr7 Chain B (length=490) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDFDTSVFNKEKVSLAGHEEYIVRGGRNLFPLLPEAFKGIKQIGVIGWGS
QGPAQAQNLRDSLAEAKSDIVVKIGLRKGSKSFDEARAAGFTEESGTLGD
IWETVSGSDLVLLLISDAAQADNYEKIFSHMKPNSILGLSHGFLLGHLQS
AGLDFPKNISVIAVCPKGMGPSVRRLYVQGKEINGAGINSSFAVHQDVDG
RATDVALGWSVALGSPFTFATTLEQEYKSDIFGERGILLGAVHGIVEALF
RRYTEQGMDEEMAYKNTVEGITGIISKTISKKGMLEVYNSLTEEGKKEFN
KAYSASFYPCMDILYECYEDVASGSEIRSVVLAGRRFYEKEGLPAFPMGN
IDQTRMWKVGEKVRSTRPENDLGPLHPFTAGVYVALMMAQIEVLRKKGHS
YSEIINESVIESVDSLNPFMHARGVAFMVDNCSTTARLGSRKWAPRFDYI
LTQQAFVTVDKDAPINQDLISNFMSDPVHGAIEVCAELRP
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 chain3fr7 Chain B Residue 1597 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fr7 Conformational changes in a plant ketol-acid reductoisomerase upon Mg(2+) and NADPH binding as revealed by two crystal structures
Resolution1.55 Å
Binding residue
(original residue number in PDB)		D1315 E1319
Binding residue
(residue number reindexed from 1)		D230 E234
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K1252 D1315 E1319
Catalytic site (residue number reindexed from 1) K167 D230 E234
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:0016491 oxidoreductase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0070402 NADPH 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
Cellular Component
GO:0009507 chloroplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3fr7, PDBe:3fr7, PDBj:3fr7
PDBsum3fr7
PubMed19362563
UniProtQ65XK0|ILV5_ORYSJ Ketol-acid reductoisomerase, chloroplastic (Gene Name=Os05g0573700)

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