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PDBsum entry 3r2b
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Transferase/transferase inhibitor
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PDB id
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3r2b
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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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Mk2 kinase bound to compound 5b
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Structure:
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Map kinase-activated protein kinase 2. Chain: a, b, c, d, e, f, g, h, i, j, k, l. Fragment: unp residues 47-364. Synonym: mapk-activated protein kinase 2, mapkap kinase 2, mapkapk-2, mk2. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: mapkapk2. Expressed in: escherichia coli. Expression_system_taxid: 511693.
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Resolution:
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2.90Å
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R-factor:
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0.279
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R-free:
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0.316
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Authors:
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A.Oubrie,M.Van Zeeland,J.Versteegh
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Key ref:
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T.Barf
et al.
(2011).
Structure-based lead identification of ATP-competitive MK2 inhibitors.
Bioorg Med Chem Lett,
21,
3818-3822.
PubMed id:
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Date:
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14-Mar-11
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Release date:
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25-May-11
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PROCHECK
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Headers
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References
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P49137
(MAPK2_HUMAN) -
MAP kinase-activated protein kinase 2 from Homo sapiens
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Seq:
Struc:
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400 a.a.
272 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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Enzyme class:
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E.C.2.7.11.1
- non-specific serine/threonine protein 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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L-seryl-[protein]
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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]
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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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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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Bioorg Med Chem Lett
21:3818-3822
(2011)
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PubMed id:
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Structure-based lead identification of ATP-competitive MK2 inhibitors.
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T.Barf,
A.Kaptein,
S.de Wilde,
R.van der Heijden,
R.van Someren,
D.Demont,
C.Schultz-Fademrecht,
J.Versteegh,
M.van Zeeland,
N.Seegers,
B.Kazemier,
B.van de Kar,
M.van Hoek,
J.de Roos,
H.Klop,
R.Smeets,
C.Hofstra,
J.Hornberg,
A.Oubrie.
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ABSTRACT
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Links
