Brand  (β version)

PDB ID: 4BFR

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Ligands
Code Name Style Show Link
J82 2-[2-(2-methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-6-morpholin-4-yl-3h-pyrimidin-4-one PoSSuM
Non-standard Residues
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Structure summary

Code : 4BFR   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Discovery and Optimization of Pyrimidone Indoline Amide PI3Kbeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers
Release Data : 2014-01-15
Compound :
mol_id molecule chains synonym
1 PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC S SUBUNIT BETA ISOFORM A,B PI3-KINASE SUBUNIT BETA, PI3K-BETA, PI3KBETA, PTDINS-3-KINASE SUBUNIT BETA, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE 110 KDA CATALYTIC SUBUNIT BETA, PTDINS-3-KINASE SUBUNIT P110-BETA, P110BETA
ec: 2.7.1.153
fragment: P110BETA CATALYTIC SUBUNIT RESIDUES 114-1064
Source :
mol_id organism_scientific organism_common expression_system
1 MUS MUSCULUS  (taxid:10090) HOUSE MOUSE SPODOPTERA FRUGIPERDA  (taxid:7108)
expression_system_common: FALL ARMYWORM
expression_system_cell_line: Sf21
expression_system_vector_type: BACULOVIRUS
Authors : Certal, V., Carry, J.C., Halley, F., Virone-Oddos, A., Thompson, F., Filoche-Romme, B., El-Ahmad, Y., Karlsson, A., Charrier, V., Delorme, C., Rak, A., Abecassis, P.Y., Amara, C., Vincent, L., Bonnevaux, H., Nicolas, J.P., Mathieu, M., Bertrand, T., Marquette, J.P., Michot, N., Benard, T., Perrin, M.A., Perron, S., Monget, S., Gruss-Leleu, F., Doerflinger, G., Guizani, H., Brollo, M., Delbarre, L., Bertin, L., Richepin, P., Loyau, V., Garcia-Echeverria, C., Lengauer, C., Schio, L.
Keywords : TRANSFERASE, INHIBITOR
Exp. method : X-RAY DIFFRACTION ( 2.80 Å )
Citation :

Discovery and Optimization of Pyrimidone Indoline Amide Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.

Certal, V.,Carry, J.B.,Halley, F.  et al.
(2014)  J.Med.Chem.  57 : 903

PubMed: 24387221
DOI: 10.1021/JM401642Q

Reaction

Chain : A, B
UniProt : Q8BTI9 (PK3CB_MOUSE)
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 UniProtKB:P42338
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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(+) - UniProtKB:P42338
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ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 UniProtKB:P42338
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