Structure of PDB 2qfy Chain C Binding Site BS01

Receptor Information
>2qfy Chain C (length=411) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFSKIKVKQPVVELDGDEMTRIIWDKIKKKLILPYLDVDLKYYDLSVESR
DATSDKITQDAAEAIKKYGVGIKCATITPDEARVKEFNLHKMWKSPNGTI
RNILGGTVFREPIVIPRIPRLVPRWEKPIIIGRHAHGDQYKATDTLIPGP
GSLELVYKPSDPTTAQPQTLKVYDYKGSGVAMAMYNTDESIEGFAHSSFK
LAIDKKLNLFLSTKNTILKKYDGRFKDIFQEVYEAQYKSKFEQLGIHYEH
RLIDDMVAQMIKSKGGFIMALKNYDGDVQSDIVAQGFGSLGLMTSILVTP
DGKTFESEAAHGTVTRHYRKYQKGEETSTNSIASIFAWSRGLLKRGELDN
TPALCKFANILESATLNTVQQDGIMTKDLALACGNNERSAYVTTEEFLDA
VEKRLQKEIKS
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain2qfy Chain C Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qfy Structural studies of Saccharomyces cerevesiae mitochondrial NADP-dependent isocitrate dehydrogenase in different enzymatic states reveal substantial conformational changes during the catalytic reaction
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S95 N97 R101
Binding residue
(residue number reindexed from 1)		S95 N97 R101
Annotation score5
Enzymatic activity
Enzyme Commision number 1.1.1.42: isocitrate dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004450 isocitrate dehydrogenase (NADP+) activity
GO:0005515 protein binding
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:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle
GO:0006102 isocitrate metabolic process
GO:0006537 glutamate biosynthetic process
GO:0006739 NADP metabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0042645 mitochondrial nucleoid

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2qfy, PDBe:2qfy, PDBj:2qfy
PDBsum2qfy
PubMed18552125
UniProtP21954|IDHP_YEAST Isocitrate dehydrogenase [NADP], mitochondrial (Gene Name=IDP1)

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