Structure of PDB 2qfy Chain D Binding Site BS01

Receptor Information
>2qfy Chain D (length=411) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSKIKVKQPVVELDGDEMTRIIWDKIKKKLILPYLDVDLKYYDLSVESRD
ATSDKITQDAAEAIKKYGVGIKCATITPDEARVKEFNLHKMWKSPNGTIR
NILGGTVFREPIVIPRIPRLVPRWEKPIIIGRHAHGDQYKATDTLIPGPG
SLELVYKPSDPTTAQPQTLKVYDYKGSGVAMAMYNTDESIEGFAHSSFKL
AIDKKLNLFLSTKNTILKKYDGRFKDIFQEVYEAQYKSKFEQLGIHYEHR
LIDDMVAQMIKSKGGFIMALKNYDGDVQSDIVAQGFGSLGLMTSILVTPD
GKTFESEAAHGTVTRHYRKYQKGEETSTNSIASIFAWSRGLLKRGELDNT
PALCKFANILESATLNTVQQDGIMTKDLALACGNNERSAYVTTEEFLDAV
EKRLQKEIKSI
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 D Residue 2004 [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 R110 D277
Binding residue
(residue number reindexed from 1)		S94 N96 R100 R109 D276
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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