Structure of PDB 6ixt Chain A Binding Site BS02

Receptor Information

>6ixt Chain A (length=405) Species: 70448 (Ostreococcus tauri)

SKITAAPMVYVRGEEMTAYVMDLIRSRWIEPRVDVGGWETFDLRAKNRDD
TEDRVLRDVIEAGKRIKAIFKEPTVTPTADQVKRLGLRKSWGSPNGAMRR
GWNGITISRDTIHIDGVELGYKKPVLFERHAVGGEYSAGYKNVGKGKLTT
TFTPSEGPDAGKTVVVDEREIVDEEAAVVTYHNPYDNVHDLARFFFGRCL
EAKVTPYVVTKKTVFKWQEPFWQIMRTVFDEEFKAQFVAAGVMKEGEELV
HLLSDAATMKLVQWRQGGFGMAAHNYDGDVLTDELAQVHKSPGFITSNLV
GVHEDGTLIKEFEASHGTVADMDEARLRGEETSLNPLGMVEGLIGAMNHA
ADVHNIDRDRTHAFTTKMRTVIHQLFREGKGTRDLCGPSGLTTEQFIDAV
AERLD

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6ixt Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ixt Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs.
• Resolution: 1.78 Å
• Binding residue (original residue number in PDB): D302 D306
• Binding residue (residue number reindexed from 1): D279 D283
• Annotation score: 1

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

External links

• PDB: RCSB:6ixt, PDBe:6ixt, PDBj:6ixt
• PDBsum: 6ixt
• PubMed: 33957092
• UniProt: A0A096P8D3|IDH_OSTTA Isocitrate dehydrogenase (NAD(+)), mitochondrial (Gene Name=IDH)