Structure of PDB 8hmr Chain A Binding Site BS03

Receptor Information
>8hmr Chain A (length=513) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEM
IKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDT
KGPEIRTGLIGTAEVELKKGATLKITPDNAYMEKCDENILWLDYKNICKV
VEVGSKIYVDDGLISLQVKQKGDFLVTEVENGGSLGSKKGVNLPGAAVDL
PAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKII
SKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCN
RAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKG
DYPLEAVRMQHLIAREAEAAIYHLQLFEELRRLAPITSDPTEATAVGAVE
ASFKCCSGAIIVLTKSGRSAHQVARYRPRAPIIAVTRNPQTARQAHLYRG
IFPVLCKDPVQEAWAEDVDLRVNFAMNVGKARGFFKKGDVVIVLTGWRPG
SGFTNTMRVVPVP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8hmr Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hmr Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2
Resolution2.6 Å
Binding residue
(original residue number in PDB)		F244 E272 D296
Binding residue
(residue number reindexed from 1)		F226 E254 D278
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
2.7.11.1: non-specific serine/threonine protein kinase.
2.7.1.40: pyruvate kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003723 RNA binding
GO:0003729 mRNA binding
GO:0003824 catalytic activity
GO:0004713 protein tyrosine kinase activity
GO:0004743 pyruvate kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0023026 MHC class II protein complex binding
GO:0030955 potassium ion binding
GO:0045296 cadherin binding
GO:0046872 metal ion binding
Biological Process
GO:0006096 glycolytic process
GO:0006417 regulation of translation
GO:0012501 programmed cell death
GO:0016310 phosphorylation
GO:0032869 cellular response to insulin stimulus
GO:0061621 canonical glycolysis
GO:1903672 positive regulation of sprouting angiogenesis
GO:2000767 positive regulation of cytoplasmic translation
Cellular Component
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005791 rough endoplasmic reticulum
GO:0005829 cytosol
GO:0005929 cilium
GO:0031982 vesicle
GO:0034774 secretory granule lumen
GO:0062023 collagen-containing extracellular matrix
GO:0070062 extracellular exosome
GO:1903561 extracellular vesicle
GO:1904813 ficolin-1-rich granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8hmr, PDBe:8hmr, PDBj:8hmr
PDBsum8hmr
PubMed
UniProtP14618|KPYM_HUMAN Pyruvate kinase PKM (Gene Name=PKM)

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