Brand  (β version)

PDB ID: 6CPW

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Ligands
Code Name Style Show Link
F8V (3s)-N-[3-(4-fluorophenyl)-1h-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6CPW   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE inhibitor
Title : Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology
Release Data : 2018-05-23
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 Rattus norvegicus  (taxid:10116) Rat Escherichia coli BL21(DE3)  (taxid:469008)
gene: Mapk1, Erk2, Mapk, Prkm1
expression_system_strain: BL21(DE3)
Authors : Hruza, A., Hruza, A.
Keywords : TRANSFERASE, SERINE/THREONINE-PROTEIN KINASE, MAP KINASE, TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 1.85 Å )
Citation :

Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.

Boga, S.B.,Alhassan, A.B.,Cooper, A.B.  et al.
(2018)  Bioorg. Med. Chem. Lett.  28 : 2029 - 2034

PubMed: 29748051
DOI: 10.1016/j.bmcl.2018.04.063

Reaction

Chain : A
UniProt : P63086 (MK01_RAT)
Reaction: EC: Evidence:
Physiological Direction:
L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+) 2.7.11.24 UniProtKB:P28482
-
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
-