3ml9 Summary

pdbe.org/3ml9
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Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design

The structure was published by Cheng, H., Li, C., Bailey, S., et al., Yin, M.J., Zhu, J., and Zientek, M., in 2013 in a paper entitled "Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.55 Å and deposited in 2010.

The experimental data on which the structure is based was also deposited.

The PDB entry contains the structure of Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform. This molecule has the UniProt identifier P48736 (PK3CG_HUMAN)search. The sample contained 966 residues which is < 90% of the natural sequence. Out of 966 residues 847 were observed and are deposited in the PDB.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule is most likely monomeric.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):


Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 (144-1102) (PK3CG_HUMAN)search Homo sapienssearch < 90% 966 87%


This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P48736 (144 - 1102) Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
A Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1search, C2- domain Calcium/lipid binding domainsearch, Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeatsearch, Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 4search, Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 5search Phosphatidylinositol 3- and 4-kinasesearch, Phosphoinositide 3-kinase family, accessory domain (PIK domain)search, Phosphoinositide 3-kinase C2search, PI3-kinase family, ras-binding domainsearch

Chain ID Molecular function (GO) Biological process (GO)
A (P48736) transferase activity, transferring phosphorus-containing groupssearch phosphotransferase activity, alcohol group as acceptorsearch phosphatidylinositol phosphorylationsearch phosphatidylinositol-mediated signalingsearch

Chain InterPro annotation
A C2 domainsearch Phosphatidylinositol 3-kinase Ras-binding (PI3K RBD) domainsearch Phosphatidylinositol 3-/4-kinase, catalytic domainsearch Phosphoinositide 3-kinase, accessory (PIK) domainsearch Phosphatidylinositol 3-kinase, C2 domainsearch Protein kinase-like domainsearch Phosphatidylinositol Kinasesearch Armadillo-type foldsearch Phosphatidylinositol 3/4-kinase, conserved sitesearch Ubiquitin-related domainsearch