Structure of PDB 6nn4 Chain D Binding Site BS02

Receptor Information
>6nn4 Chain D (length=414) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSIIATIGPASRSVERL
KEMIKAGMNIARLNFSHGSHEYHAESIANVREAVESFYRPVAIALDTKGP
EIRTLSEQDVRDLRFGVEHGVDIVFASFVRKASDVAAVRAALGPEGHGIK
IISKIENHEGVKRFDEILEVSDGIMVARGDLGIEIPAEKVFLAQKMMIGR
CNLAGKPVVCATQMLESMITKPRPTRAETSDVANAVLDGADCIMLSGETA
KGNFPVEAVKMQHAIAREAEAAVYHRQLFEELRRAAPLSRDPTEVTAIGA
VEAAFKCCAAAIIVLTTTGRSAQLLSRYRPRAAVIAVTRSAQAARQVHLC
RGVFPLLYREPPEAIWADDVNRRVQFGIESGKLRGFLRVGDLVIVVTGWR
PGGYTNIMRVLSIS
Ligand information
Ligand IDPEP
InChIInChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKeyDTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04O=C(O)C(\OP(=O)(O)O)=C
FormulaC3 H5 O6 P
NamePHOSPHOENOLPYRUVATE
ChEMBLCHEMBL1235228
DrugBankDB01819
ZINCZINC000003870145
PDB chain6nn4 Chain D Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nn4 Changes in the allosteric site of human liver pyruvate kinase upon activator binding include the breakage of an intersubunit cation-pi bond.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		R85 K282 E284 A305 G307 D308 T340
Binding residue
(residue number reindexed from 1)		R62 K154 E156 A177 G179 D180 T212
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R85 R132 K282 T340
Catalytic site (residue number reindexed from 1) R62 R103 K154 T212
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:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0030955 potassium ion binding
GO:0046872 metal ion binding
GO:0048029 monosaccharide binding
Biological Process
GO:0001666 response to hypoxia
GO:0006096 glycolytic process
GO:0007584 response to nutrient
GO:0009749 response to glucose
GO:0010038 response to metal ion
GO:0016310 phosphorylation
GO:0032869 cellular response to insulin stimulus
GO:0033198 response to ATP
GO:0042866 pyruvate biosynthetic process
GO:0051591 response to cAMP
GO:0071872 cellular response to epinephrine stimulus
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6nn4, PDBe:6nn4, PDBj:6nn4
PDBsum6nn4
PubMed31204694
UniProtP30613|KPYR_HUMAN Pyruvate kinase PKLR (Gene Name=PKLR)

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