Structure of PDB 6ixn Chain B Binding Site BS01

Receptor Information
>6ixn Chain B (length=405) Species: 70448 (Ostreococcus tauri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKITAAPMVYVRGEEMTAYVMDLIRSRWIEPRVDVGGWETFDLRAKNRDD
TEDRVLRDVIEAGKRIKAIFKEPTVTPTADQVKRLGLRKSWGSPNGAMRR
GWNGITISRDTIHIDGVELGYKKPVLFERHAVGGEYSAGYKNVGKGKLTT
TFTPSEGPDAGKTVVVDEREIVDEEAAVVTYHNPYDNVHDLARFFFGRCL
EAKVTPYVVTKKTVFKWQEPFWQIMRTVFDEEFKAQFVAAGVMKEGEELV
HLLSDAATMKLVQWRQGGFGMAAHNYDGDVLTDELAQVHKSPGFITSNLV
GVHEDGTLIKEFEASHGTVADMDEARLRGEETSLNPLGMVEGLIGAMNHA
ADVHNIDRDRTHAFTTKMRTVIHQLFREGKGTRDLCGPSGLTTEQFIDAV
AERLD
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 chain6ixn Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ixn Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		K234 V237
Binding residue
(residue number reindexed from 1)		K211 V214
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:6ixn, PDBe:6ixn, PDBj:6ixn
PDBsum6ixn
PubMed33957092
UniProtA0A096P8D3|IDH_OSTTA Isocitrate dehydrogenase (NAD(+)), mitochondrial (Gene Name=IDH)

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