Structure of PDB 7qdn Chain F Binding Site BS02

Receptor Information
>7qdn Chain F (length=435) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADVAQLTQELGTAFFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSII
ATIGPASRSVERLKEMIKAGMNIARLNFSHGSHEYHAESIANVREAVESF
AGSPLSYRPVAIALDTKGPGSGPGLSEQDVRDLRFGVEHGVDIVFASFVR
KASDVAAVRAALGPEGHGIKIISKIENHEGVKRFDEILEVSDGIMVARGD
LGIEIPAEKVFLAQKMMIGRCNLAGKPVVCATQMLESMITKPRPTRAETS
DVANAVLDGADCIMLSGETAKGNFPVEAVKMQHAIAREAEAAVYHRQLFE
ELRRAAPLSRDPTEVTAIGAVEAAFKCCAAAIIVLTTTGRSAQLLSRYRP
RAAVIAVTRSAQAARQVHLCRGVFPLLYREPPEAIWADDVDRRVQFGIES
GKLRGFLRVGDLVIVVTGWRPGSGYTNIMRVLSIS
Ligand information
Ligand IDOXD
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)C(O)=O
ACDLabs 10.04O=C(O)C(=O)O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)O)O
FormulaC2 H2 O4
NameOXALIC ACID
ChEMBLCHEMBL146755
DrugBankDB03902
ZINCZINC000006021239
PDB chain7qdn Chain F Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7qdn Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Resolution1.695 Å
Binding residue
(original residue number in PDB)		K282 E284 A305 G307 D308 T340
Binding residue
(residue number reindexed from 1)		K174 E176 A197 G199 D200 T232
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.1.40: pyruvate kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004743 pyruvate kinase activity
GO:0030955 potassium ion binding
Biological Process
GO:0006096 glycolytic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7qdn, PDBe:7qdn, PDBj:7qdn
PDBsum7qdn
PubMed35290845
UniProtP30613|KPYR_HUMAN Pyruvate kinase PKLR (Gene Name=PKLR)

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