Structure of PDB 5h3f Chain B Binding Site BS01

Receptor Information
>5h3f Chain B (length=417) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEKRIKVEKPVVEMDGDEMTRIIWQFIKEKLILPHVDVQLKYFDLGLPNR
DQTNDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTI
RNILGGTVFREPIICKNIPRLVPGWTKPITIGRHAHGDQYKATDFVVDRA
GTFKLVFTPKDGSSAKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYS
IQKKWPLYLSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRL
IDDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDG
KTIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQ
DLIRFAQTLEKVCVQTVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLD
TIKSNLDRALGKQLEHH
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 chain5h3f Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5h3f Studies on the regulatory mechanism of isocitrate dehydrogenase 2 using acetylation mimics
Resolution3.29 Å
Binding residue
(original residue number in PDB)		D314 D318
Binding residue
(residue number reindexed from 1)		D275 D279
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: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:0006103 2-oxoglutarate metabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005777 peroxisome
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5h3f, PDBe:5h3f, PDBj:5h3f
PDBsum5h3f
PubMed28852116
UniProtP54071|IDHP_MOUSE Isocitrate dehydrogenase [NADP], mitochondrial (Gene Name=Idh2)

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