Brand  (β version)

PDB ID: 3TL5

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Ligands
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980 (2s)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-D]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one PoSSuM
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Structure summary

Code : 3TL5   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Discovery of GDC-0980: a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor for the Treatment of Cancer
Release Data : 2011-11-02
Compound :
mol_id molecule chains synonym
1 Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform A Phosphoinositide 3-kinase p110-gamma-isoform, PI3-kinase subunit gamma, PI3K-gamma, PtdIns-3-kinase subunit gamma, Phosphatidylinositol-4,5-bisphosphate 3-kinase 110 kDa catalytic subunit gamma, PtdIns-3-kinase subunit p110-gamma, p120-PI3K
ec: 2.7.1.153
fragment: UNP residues 144-1102
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: PIK3CG
expression_system_strain: SF9
expression_system_vector_type: plasmid
Authors : Murray, J.M., Wiesmann, C.
Keywords : TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.788 Å )
Citation :

Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer.

Sutherlin, D.P.,Bao, L.,Berry, M.  et al.
(2011)  J.Med.Chem.  54 : 7579 - 7587

PubMed: 21981714
DOI: 10.1021/jm2009327

Reaction

Chain : A
UniProt : P48736 (PK3CG_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a 1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol) + ATP = a 1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol-3-phosphate) + ADP + H(+) 2.7.1.137 PubMed:11277933, PubMed:16123124
left-to-right PubMed:11277933
a 1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5- bisphosphate) + ATP = a 1,2-diacyl-sn-glycero-3-phospho-(1D-myo- inositol-3,4,5-trisphosphate) + ADP + H(+) 2.7.1.153 PubMed:15135396, PubMed:16123124, PubMed:31554793
left-to-right PubMed:15135396
a 1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol 4- phosphate) + ATP = a 1,2-diacyl-sn-glycero-3-phospho-(1D-myo- inositol-3,4-bisphosphate) + ADP + H(+) 2.7.1.154 PubMed:16123124
left-to-right
L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+) 2.7.11.1 PubMed:12502714, PubMed:16094730
left-to-right PubMed:12502714