Brand  (β version)

PDB ID: 5SW8

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Ligands
Code Name Style Show Link
70S 2h-indazol-5-amine PoSSuM
EPE 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid PoSSuM
FB1 2-chlorobenzenesulfonamide PoSSuM
Non-standard Residues
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SEP Phosphoserine
Glycosylation
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Structure summary

Code : 5SW8   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of PI3Kalpha in complex with fragments 7 and 11
Release Data : 2017-02-15
Compound :
mol_id molecule chains synonym
1 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform A PtdIns-3-kinase subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit alpha,p110alpha,Phosphoinositide-3-kinase catalytic alpha polypeptide,Serine/threonine protein kinase PIK3CA
ec: 2.7.1.153,2.7.11.1
mol_id molecule chains synonym
2 Phosphatidylinositol 3-kinase regulatory subunit alpha B PtdIns-3-kinase regulatory subunit alpha,Phosphatidylinositol 3-kinase 85 kDa regulatory subunit alpha,PtdIns-3-kinase regulatory subunit p85-alpha
fragment: residues 322-600
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
variant: SF9
gene: PIK3CA
expression_system_common: Fall armyworm
expression_system_cell_line: SF9
expression_system_vector_type: baculovirus
expression_system_plasmid: pFastbac HT-A
mol_id organism_scientific organism_common expression_system
2 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: PIK3R1, GRB1
expression_system_common: Fall armyworm
expression_system_cell_line: SF9
expression_system_vector_type: baculovirus
expression_system_plasmid: pFastbac HT-A
Authors : Gabelli, S.B., Vogelstein, B., Miller, M.S., Amzel, L.M.
Keywords : lipid kinase, phosphoinositide, 3-kinase, signaling, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 3.3000 Å )
Citation :

Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.

Miller, M.S.,Maheshwari, S.,McRobb, F.M.  et al.
(2017)  Bioorg. Med. Chem.  25 : 1481 - 1486

PubMed: 28129991
DOI: 10.1016/j.bmc.2017.01.012

Reaction

Chain : A
UniProt : P42336 (PK3CA_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
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:28676499
left-to-right
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:23936502
left-to-right
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 PubMed:23936502, PubMed:28676499
left-to-right
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5- bisphosphate) + ATP = 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo- inositol-3,4,5-trisphosphate) + ADP + H(+) - PubMed:28676499
left-to-right
1-octadecanoyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero- 3-phospho-1D-myo-inositol 4,5-bisphosphate + ATP = 1-octadecanoyl-2- (5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1D-myo- inositol 3,4,5-triphosphate) + ADP + H(+) - PubMed:15135396
left-to-right
Chain : B
UniProt : P27986 (P85A_HUMAN)
Reaction : -