Structure of PDB 7e2w Chain A Binding Site BS01

Receptor Information
>7e2w Chain A (length=403) Species: 70448 (Ostreococcus tauri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KITAAPMVYVRGEEMTAYVMDLIRSRWIEPRVDVGGWETFDLRAKNRDDT
EDRVLRDVIEAGKRIKAIFKEPTVTPTADQVKRLGLRKSWGSPNGAMRRG
WNGITISRDTIHIDGVELGYKKPVLFERHAVGGEYSAGYKNVGKGKLTTT
FTPSEGPDAGKTVVVDEREIVDEEAAVVTYHNPYDNVHDLARFFFGRCLE
AKVTPYVVTKKTVFKWQEPFWQIMRTVFDEEFKAQFVAAGVMKEGEELVH
LLSDAATMKLVQWRQGGFGMAAHNYDGDVLTDELAQVHKSPGFITSNLVG
VHEDGTLIKEFEASHGTVADMDEARLRGEETSLNPLGMVEGLIGAMNHAA
DVHNIDRDRTHAFTTKMRTVIHQLFREGKGTRDLCGPSGLTTEQFIDAVA
ERL
Ligand information
Ligand IDFLC
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
FormulaC6 H5 O7
NameCITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain7e2w Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7e2w Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D138 R392 T393 H396 R400
Binding residue
(residue number reindexed from 1)		D114 R368 T369 H372 R376
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.41: isocitrate dehydrogenase (NAD(+)).
Gene Ontology
Molecular Function
GO:0004450 isocitrate dehydrogenase (NADP+) activity
Biological Process
GO:0006102 isocitrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7e2w, PDBe:7e2w, PDBj:7e2w
PDBsum7e2w
PubMed33957092
UniProtA0A096P8D3|IDH_OSTTA Isocitrate dehydrogenase (NAD(+)), mitochondrial (Gene Name=IDH)

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