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PDBsum entry 3qk0

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protein ligands links
Transferase/transferase inhibitor PDB id
3qk0
Jmol
Contents
Protein chain
820 a.a.
Ligands
SO4 ×3
QK0
Waters ×7
PDB id:
3qk0
Name: Transferase/transferase inhibitor
Title: Crystal structure of pi3k-gamma in complex with benzothiazol
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:
2.85Å     R-factor:   0.229     R-free:   0.277
Authors: D.A.Whittington,J.Tang,P.Yakowec
Key ref: N.D.D'Angelo et al. (2011). Discovery and optimization of a series of benzothiazole phosphoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors. J Med Chem, 54, 1789-1811. PubMed id: 21332118 DOI: 10.1021/jm1014605
Date:
31-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.
820 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
+ 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: 10.1021/jm1014605 J Med Chem 54:1789-1811 (2011)
PubMed id: 21332118  
 
 
Discovery and optimization of a series of benzothiazole phosphoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors.
N.D.D'Angelo, T.S.Kim, K.Andrews, S.K.Booker, S.Caenepeel, K.Chen, D.D'Amico, D.Freeman, J.Jiang, L.Liu, J.D.McCarter, T.San Miguel, E.L.Mullady, M.Schrag, R.Subramanian, J.Tang, R.C.Wahl, L.Wang, D.A.Whittington, T.Wu, N.Xi, Y.Xu, P.Yakowec, K.Yang, L.P.Zalameda, N.Zhang, P.Hughes, M.H.Norman.
 
  ABSTRACT  
 
No abstract given.