Structure of PDB 3fr8 Chain B Binding Site BS01

Receptor Information
>3fr8 Chain B (length=517) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAVGAAMPSLDFDTSVFNKEKVSLAGHEEYIVRGGRNLFPLLPEAFKGIK
QIGVIGWGSQGPAQAQNLRDSLAEAKSDIVVKIGLRKGSKSFDEARAAGF
TEESGTLGDIWETVSGSDLVLLLISDAAQADNYEKIFSHMKPNSILGLSH
GFLLGHLQSAGLDFPKNISVIAVCPKGMGPSVRRLYVQGKEINGAGINSS
FAVHQDVDGRATDVALGWSVALGSPFTFATTLEQEYKSDIFGERGILLGA
VHGIVEALFRRYTEQGMDEEMAYKNTVEGITGIISKTISKKGMLEVYNSL
TEEGKKEFNKAYSASFYPCMDILYECYEDVASGSEIRSVVLAGRRFYEKE
GLPAFPMGNIDQTRMWKVGEKVRSTRPENDLGPLHPFTAGVYVALMMAQI
EVLRKKGHSYSEIINESVIESVDSLNPFMHARGVAFMVDNCSTTARLGSR
KWAPRFDYILTQQAFVTVDKDAPINQDLISNFMSDPVHGAIEVCAELRPT
VDISVPANADFVRPELR
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 chain3fr8 Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3fr8 Conformational changes in a plant ketol-acid reductoisomerase upon Mg(2+) and NADPH binding as revealed by two crystal structures
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H226 D315 E319
Binding residue
(residue number reindexed from 1)		H150 D239 E243
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K252 D315 E319
Catalytic site (residue number reindexed from 1) K176 D239 E243
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3fr8, PDBe:3fr8, PDBj:3fr8
PDBsum3fr8
PubMed19362563
UniProtQ65XK0|ILV5_ORYSJ Ketol-acid reductoisomerase, chloroplastic (Gene Name=Os05g0573700)

[Back to BioLiP]