Structure of PDB 4ima Chain B Binding Site BS01

Receptor Information
>4ima Chain B (length=500) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELGTAFFQQQQLPAAMADTFLEHLCLLDIDSEPVAARSTSIIATIGPASR
SVERLKEMIKAGMNIARLNFSHGSHEYHAESIANVREAVESFAGSPLSYR
PVAIALDTKGPEIRTESEVELVKGSVLVTVDPAFRGNANTVWVDYPNIVR
VVPGRIYIDDGLISLVVTQVENGGVLGSRKGVNLPGAPGLSEQDVRDLRF
GVEHGVDIVFASFVRKASDVAAVRAALGPEGHGIKIISKIENHEGVKRFD
EILEVSDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNLAGKPVVCATQML
ESMITKARPTRAETSDVANAVLDGADCIMLSGETAKGNFPVEAVKMQHAI
AREAEAAVYHRQLFEELRRAAPLSRDPTEVTAIGAVEAAFKCMAAAIIVL
TTTGRSAQLLSRYRPRAAVIAVTRSAQAARQVHLCRGVFPLLYREPPEAI
WADDVDRRVQFGIESGKLRGFLRVGDLVIVVTGWRPGSGYTNIMRVLSIS
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4ima Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ima Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase.
Resolution1.954 Å
Binding residue
(original residue number in PDB)		E284 D308
Binding residue
(residue number reindexed from 1)		E241 D265
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R85 R132 K282 T340
Catalytic site (residue number reindexed from 1) R67 R114 K239 T297
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:4ima, PDBe:4ima, PDBj:4ima
PDBsum4ima
PubMed23270483
UniProtP30613|KPYR_HUMAN Pyruvate kinase PKLR (Gene Name=PKLR)

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