Brand  (β version)

PDB ID: 3PP1

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Ligands
Code Name Style Show Link
ACT Acetate ion PoSSuM
ATP Adenosine-5'-triphosphate PoSSuM
IZG 3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-D]pyrimidine-4,7(3h,8h)-dione PoSSuM
MG Magnesium ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3PP1   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal Structure of the Human Mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgATP
Release Data : 2011-02-23
Compound :
mol_id molecule chains synonym
1 Dual specificity mitogen-activated protein kinase kinase 1 A MAP kinase kinase 1, MAPKK 1, ERK activator kinase 1, MAPK/ERK kinase 1, MEK 1
ec: 2.7.12.2
fragment: kinase domain
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: MAP2K1, Mapk/erk kinase 1, MEK1, PRKMK1
expression_system_strain: BL21 DE3
expression_system_vector_type: plasmid
expression_system_plasmid: pet21a(+)
Authors : Dougan, D.R.
Keywords : Kinase domain, Kinase, ATP binding, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.70 Å )
Citation :

Discovery of TAK-733, a potent and selective MEK allosteric site inhibitor for the treatment of cancer.

Dong, Q.,Dougan, D.R.,Gong, X.  et al.
(2011)  Bioorg.Med.Chem.Lett.  21 : 1315 - 1319

PubMed: 21310613
DOI: 10.1016/j.bmcl.2011.01.071

Reaction

Chain : A
UniProt : Q02750 (MP2K1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.12.2 -
-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.12.2 -
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ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein] 2.7.12.2 -
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