Brand  (β version)

PDB ID: 6GDM

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Ligands
Code Name Style Show Link
DMS Dimethyl sulfoxide PoSSuM
F3Z (3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
Code Name Show
CME S,S-(2-hydroxyethyl)thiocysteine
Glycosylation
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Modification
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Structure summary

Code : 6GDM   PDBj   RCSB PDB   PDBe
Header : SIGNALING PROTEIN
Title : Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Release Data : 2018-05-30
Compound :
mol_id molecule chains synonym
1 Mitogen-activated protein kinase 1 A MAPK 1,ERT1,Extracellular signal-regulated kinase 2,ERK-2,MAP kinase isoform p42,p42-MAPK,Mitogen-activated protein kinase 2,MAPK 2
ec: 2.7.11.24
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21(DE3)  (taxid:469008)
gene: MAPK1, ERK2, PRKM1, PRKM2
Authors : O'Reilly, M.
Keywords : Erk2 Kinase inhibitor, SIGNALING PROTEIN
Exp. method : X-RAY DIFFRACTION ( 1.91 Å )
Citation :

Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.

Heightman, T.D.,Berdini, V.,Braithwaite, H.  et al.
(2018)  J. Med. Chem.  61 : 4978 - 4992

PubMed: 29775310
DOI: 10.1021/acs.jmedchem.8b00421

Reaction

Chain : A
UniProt : P28482 (MK01_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+) 2.7.11.24 PubMed:26942675
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L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H(+) 2.7.11.24 -
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Cofactor: Evidence: Note:
Mg(2+) ECO:0000250
-