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PDBsum entry 3cgo
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Contents |
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* Residue conservation analysis
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PDB id:
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Transferase
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Title:
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Irak-4 inhibitors (part ii)- a structure based assessment of imidazo[1,2 a]pyridine binding
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Structure:
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Mitogen-activated protein kinase 10. Chain: a. Fragment: protein kinase domain, unp residues 40-402. Synonym: stress-activated protein kinase jnk3, c-jun n-terminal kinase 3, map kinase p49 3f12. Engineered: yes
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Source:
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Homo sapiens. Human. Gene: mapk10, jnk3, jnk3a, prkm10. Expressed in: escherichia coli
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Resolution:
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3.00Å
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R-factor:
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0.243
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R-free:
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0.318
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Authors:
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T.A.Ceska,A.Platt,M.Fortunato,K.M.Dickson,R.Beevers
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Key ref:
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G.M.Buckley
et al.
(2008).
IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo[1,2-a]pyridine binding.
Bioorg Med Chem Lett,
18,
3291-3295.
PubMed id:
DOI:
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Date:
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06-Mar-08
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Release date:
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03-Jun-08
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PROCHECK
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Headers
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References
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P53779
(MK10_HUMAN) -
Mitogen-activated protein kinase 10 from Homo sapiens
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Seq:
Struc:
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464 a.a.
332 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.2.7.11.24
- mitogen-activated 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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DOI no:
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Bioorg Med Chem Lett
18:3291-3295
(2008)
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PubMed id:
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IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo[1,2-a]pyridine binding.
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G.M.Buckley,
T.A.Ceska,
J.L.Fraser,
L.Gowers,
C.R.Groom,
A.P.Higueruelo,
K.Jenkins,
S.R.Mack,
T.Morgan,
D.M.Parry,
W.R.Pitt,
O.Rausch,
M.D.Richard,
V.Sabin.
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ABSTRACT
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A potent IRAK-4 inhibitor was identified through routine project cross
screening. The binding mode was inferred using a combination of in silico
docking into an IRAK-4 homology model, surrogate crystal structure analysis and
chemical analogue SAR.
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Literature references that cite this PDB file's key reference
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PubMed id
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Reference
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T.Schwede,
A.Sali,
B.Honig,
M.Levitt,
H.M.Berman,
D.Jones,
S.E.Brenner,
S.K.Burley,
R.Das,
N.V.Dokholyan,
R.L.Dunbrack,
K.Fidelis,
A.Fiser,
A.Godzik,
Y.J.Huang,
C.Humblet,
M.P.Jacobson,
A.Joachimiak,
S.R.Krystek,
T.Kortemme,
A.Kryshtafovych,
G.T.Montelione,
J.Moult,
D.Murray,
R.Sanchez,
T.R.Sosnick,
D.M.Standley,
T.Stouch,
S.Vajda,
M.Vasquez,
J.D.Westbrook,
and
I.A.Wilson
(2009).
Outcome of a workshop on applications of protein models in biomedical research.
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Structure,
17,
151-159.
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The most recent references are shown first.
Citation data come partly from CiteXplore and partly
from an automated harvesting procedure. Note that this is likely to be
only a partial list as not all journals are covered by
either method. However, we are continually building up the citation data
so more and more references will be included with time.
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Links
