Structure of PDB 7frv Chain A Binding Site BS04

Receptor Information
>7frv Chain A (length=422) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSIIATIGPASRSVER
LKEMIKAGMNIARLNFSHGSHEYHAESIANVREAVESFAGSPLSYRPVAI
ALDTKGPGSGGLSEQDVRDLRFGVEHGVDIVFASFVRKASDVAAVRAALG
PEGHGIKIISKIENHEGVKRFDEILEVSDGIMVARGDLGIEIPAEKVFLA
QKMMIGRCNLAGKPVVCATQMLESMITKPRPTRAETSDVANAVLDGADCI
MLSGETAKGNFPVEAVKMQHAIAREAEAAVYHRQLFEELRRAAPLSRDPT
EVTAIGAVEAAFKCCAAAIIVLTTTGRSAQLLSRYRPRAAVIAVTRSAQA
ARQVHLCRGVFPLLYREPPEAIWADDVDRRVQFGIESGKLRGFLRVGDLV
IVVTGWRPGSGYTNIMRVLSIS
Ligand information
Ligand IDOD5
InChIInChI=1S/C12H10O6S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6,13-16H
InChIKeyASVQOVSTAOQGAT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1S(=O)(=O)c2ccc(c(c2)O)O)O)O
CACTVS 3.385Oc1ccc(cc1O)[S](=O)(=O)c2ccc(O)c(O)c2
ACDLabs 12.01Oc1ccc(cc1O)S(=O)(=O)c1cc(O)c(O)cc1
FormulaC12 H10 O6 S
Name4,4'-sulfonyldi(benzene-1,2-diol)
ChEMBL
DrugBank
ZINC
PDB chain7frv Chain A Residue 605 [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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PDB7frv Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Resolution2.004 Å
Binding residue
(original residue number in PDB)		F38 L39 Q405
Binding residue
(residue number reindexed from 1)		F16 L17 Q284
Annotation score1
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:7frv, PDBe:7frv, PDBj:7frv
PDBsum7frv
PubMed36753880
UniProtP30613|KPYR_HUMAN Pyruvate kinase PKLR (Gene Name=PKLR)

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