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PDBsum entry 3qaq

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protein ligands links
Transferase/transferase inhibitor PDB id
3qaq
Jmol
Contents
Protein chain
837 a.a.
Ligands
SO4 ×3
QAQ
Waters ×13
PDB id:
3qaq
Name: Transferase/transferase inhibitor
Title: Crystal structure of pi3k-gamma in complex with triazine-ben 1
Structure: Phosphatidylinositol-4,5-bisphosphate 3-kinase ca subunit gamma isoform. Chain: a. Fragment: catalytic domain (unp residues 144-1102). Synonym: pi3-kinase subunit gamma, pi3k-gamma, ptdins-3-kin subunit gamma, phosphatidylinositol-4,5-bisphosphate 3-kina catalytic subunit gamma, ptdins-3-kinase subunit p110-gamma pi3k. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: pik3cg. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.
Resolution:
2.90Å     R-factor:   0.221     R-free:   0.265
Authors: D.A.Whittington,J.Tang,P.Yakowec
Key ref: E.A.Peterson et al. (2011). Discovery of triazine-benzimidazoles as selective inhibitors of mTOR. Bioorg Med Chem Lett, 21, 2064-2070. PubMed id: 21376583 DOI: 10.1016/j.bmcl.2011.02.007
Date:
11-Jan-11     Release date:   30-Mar-11    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P48736  (PK3CG_HUMAN) -  Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Seq:
Struc:
 
Seq:
Struc:
 
Seq:
Struc:
1102 a.a.
837 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class 2: E.C.2.7.1.153  - Phosphatidylinositol-4,5-bisphosphate 3-kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]

      Pathway:
1-Phosphatidyl-myo-inositol Metabolism
      Reaction: ATP + 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate = ADP + 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate
ATP
+ 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate
=
ADP
Bound ligand (Het Group name = QAQ)
matches with 42.11% similarity
+ 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate
   Enzyme class 3: E.C.2.7.11.1  - Non-specific serine/threonine protein kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + a protein = ADP + a phosphoprotein
ATP
+ protein
= ADP
+ phosphoprotein
Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     phosphatidylinositol-mediated signaling   2 terms 
  Biochemical function     transferase activity, transferring phosphorus-containing groups     2 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.bmcl.2011.02.007 Bioorg Med Chem Lett 21:2064-2070 (2011)
PubMed id: 21376583  
 
 
Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.
E.A.Peterson, P.S.Andrews, X.Be, A.A.Boezio, T.L.Bush, A.C.Cheng, J.R.Coats, A.E.Colletti, K.W.Copeland, M.DuPont, R.Graceffa, B.Grubinska, J.C.Harmange, J.L.Kim, E.L.Mullady, P.Olivieri, L.B.Schenkel, M.K.Stanton, Y.Teffera, D.A.Whittington, T.Cai, D.S.La.
 
  ABSTRACT  
 
No abstract given.