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PDBsum entry 3pp1
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Transferase/transferase inhibitor
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PDB id
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3pp1
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Contents |
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* Residue conservation analysis
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PDB id:
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| Name: |
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Transferase/transferase inhibitor
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Title:
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Crystal structure of the human mitogen-activated protein kinase kinase 1 (mek 1) in complex with ligand and mgatp
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Structure:
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Dual specificity mitogen-activated protein kinase kinase 1. Chain: a. Fragment: kinase domain. Synonym: map kinase kinase 1, mapkk 1, erk activator kinase 1, mapk/erk kinase 1, mek 1. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: map2k1, mapk/erk kinase 1, mek1, prkmk1. Expressed in: escherichia coli. Expression_system_taxid: 562.
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Resolution:
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2.70Å
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R-factor:
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0.184
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R-free:
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0.219
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Authors:
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D.R.Dougan
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Key ref:
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Q.Dong
et al.
(2011).
Discovery of TAK-733, a potent and selective MEK allosteric site inhibitor for the treatment of cancer.
Bioorg Med Chem Lett,
21,
1315-1319.
PubMed id:
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Date:
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23-Nov-10
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Release date:
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23-Feb-11
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PROCHECK
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Headers
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References
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Q02750
(MP2K1_HUMAN) -
Dual specificity mitogen-activated protein kinase kinase 1 from Homo sapiens
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Seq:
Struc:
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393 a.a.
291 a.a.*
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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*
PDB and UniProt seqs differ
at 1 residue position (black
cross)
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Enzyme class:
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E.C.2.7.12.2
- mitogen-activated protein kinase kinase.
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Reaction:
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1.
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L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H+
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2.
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L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H+
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3.
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L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H+
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L-seryl-[protein]
Bound ligand (Het Group name = )
corresponds exactly
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+
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ATP
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=
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O-phospho-L-seryl-[protein]
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+
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ADP
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+
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H(+)
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L-threonyl-[protein]
Bound ligand (Het Group name = )
corresponds exactly
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+
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ATP
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=
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O-phospho-L-threonyl-[protein]
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+
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ADP
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+
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H(+)
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L-tyrosyl-[protein]
Bound ligand (Het Group name = )
corresponds exactly
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+
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ATP
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=
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O-phospho-L-tyrosyl-[protein]
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+
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ADP
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+
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H(+)
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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Bioorg Med Chem Lett
21:1315-1319
(2011)
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PubMed id:
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Discovery of TAK-733, a potent and selective MEK allosteric site inhibitor for the treatment of cancer.
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Q.Dong,
D.R.Dougan,
X.Gong,
P.Halkowycz,
B.Jin,
T.Kanouni,
S.M.O'Connell,
N.Scorah,
L.Shi,
M.B.Wallace,
F.Zhou.
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ABSTRACT
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Links
