Structure of PDB 2qfx Chain B Binding Site BS01

Receptor Information
>2qfx Chain B (length=410) 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
EKRLQKEIKS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2qfx Chain B Residue 1203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qfx Structural studies of Saccharomyces cerevesiae mitochondrial NADP-dependent isocitrate dehydrogenase in different enzymatic states reveal substantial conformational changes during the catalytic reaction
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D277 D281
Binding residue
(residue number reindexed from 1)		D276 D280
Annotation score1
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
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Cellular Component
External links
PDB RCSB:2qfx, PDBe:2qfx, PDBj:2qfx
PDBsum2qfx
PubMed18552125
UniProtP21954|IDHP_YEAST Isocitrate dehydrogenase [NADP], mitochondrial (Gene Name=IDP1)

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