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PDBsum entry 3r7q

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protein ligands links
Transferase/transferase inhibitor PDB id
3r7q
Jmol
Contents
Protein chain
837 a.a.
Ligands
FAV
PDB id:
3r7q
Name: Transferase/transferase inhibitor
Title: Structure-based design of thienobenzoxepin inhibitors of pi3
Structure: Phosphatidylinositol-4,5-bisphosphate 3-kinase ca subunit gamma isoform. Chain: a. Fragment: 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. Expression_system_cell_line: sf9.
Resolution:
2.50Å     R-factor:   0.219     R-free:   0.269
Authors: J.M.Murray,C.Wiesmann
Key ref: S.T.Staben et al. (2011). Structure-based design of thienobenzoxepin inhibitors of PI3-kinase. Bioorg Med Chem Lett, 21, 4054-4058. PubMed id: 21636270
Date:
22-Mar-11     Release date:   03-Aug-11    
PROCHECK
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 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
* PDB and UniProt seqs differ at 1 residue position (black cross)

 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
+ 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    
 
 
Bioorg Med Chem Lett 21:4054-4058 (2011)
PubMed id: 21636270  
 
 
Structure-based design of thienobenzoxepin inhibitors of PI3-kinase.
S.T.Staben, M.Siu, R.Goldsmith, A.G.Olivero, S.Do, D.J.Burdick, T.P.Heffron, J.Dotson, D.P.Sutherlin, B.Y.Zhu, V.Tsui, H.Le, L.Lee, J.Lesnick, C.Lewis, J.M.Murray, J.Nonomiya, J.Pang, W.W.Prior, L.Salphati, L.Rouge, D.Sampath, S.Sideris, C.Wiesmann, P.Wu.
 
  ABSTRACT  
 
No abstract given.