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PDBsum entry 3qd3
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Transferase/transferase inhibitor
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PDB id
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3qd3
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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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Phosphoinositide-dependent kinase-1 (pdk1) kinase domain with 1,1- dimethylethyl {(3r,6s)-1-[2-amino-6-(3-amino-1h-indazol-6-yl)-4- pyrimidinyl]-6-methyl-3-piperidinyl}carbamate
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Structure:
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3-phosphoinositide-dependent protein kinase 1. Chain: a. Fragment: kinase domain, residues 48-359. Synonym: hpdk1. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: pdk1, pdpk1. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
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Resolution:
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2.00Å
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R-factor:
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0.185
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R-free:
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0.211
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Authors:
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J.R.Medina,C.J.Becker,C.W.Blackledge,C.Duquenne,Y.Feng,S.W.Grant, D.Heerding,W.H.Li,W.H.Miller,S.P.Romeril,D.Scherzer,A.Shu,M.A.Bobko, A.R.Chadderton,M.Dumble,C.M.Gradiner,S.Gilbert,Q.Liu,S.K.Rabindran, V.Sudakin,H.Xiang,P.G.Brady,N.Campobasso,P.Ward,J.M.Axten
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Key ref:
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J.R.Medina
et al.
(2011).
Structure-based design of potent and selective 3-phosphoinositide-dependent kinase-1 (PDK1) inhibitors.
J Med Chem,
54,
1871-1895.
PubMed id:
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Date:
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17-Jan-11
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Release date:
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09-Mar-11
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PROCHECK
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Headers
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References
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O15530
(PDPK1_HUMAN) -
3-phosphoinositide-dependent protein kinase 1 from Homo sapiens
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Seq:
Struc:
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556 a.a.
279 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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J Med Chem
54:1871-1895
(2011)
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PubMed id:
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Structure-based design of potent and selective 3-phosphoinositide-dependent kinase-1 (PDK1) inhibitors.
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J.R.Medina,
C.J.Becker,
C.W.Blackledge,
C.Duquenne,
Y.Feng,
S.W.Grant,
D.Heerding,
W.H.Li,
W.H.Miller,
S.P.Romeril,
D.Scherzer,
A.Shu,
M.A.Bobko,
A.R.Chadderton,
M.Dumble,
C.M.Gardiner,
S.Gilbert,
Q.Liu,
S.K.Rabindran,
V.Sudakin,
H.Xiang,
P.G.Brady,
N.Campobasso,
P.Ward,
J.M.Axten.
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ABSTRACT
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