Structure of PDB 3fr7 Chain A Binding Site BS01

Receptor Information
>3fr7 Chain A (length=495) 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
LTQQAFVTVDKDAPINQDLISNFMSDPVHGAIEVCAELRPTVDIS
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 A Residue 1576 [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)		D315 E319
Binding residue
(residue number reindexed from 1)		D230 E234
Annotation score1
Enzymatic activity
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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