3ML8

Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016301	molecular_function	kinase activity
A	0046854	biological_process	phosphatidylinositol phosphate biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ML8 A 9999

Chain	Residue
A	ASP836
A	PHE965
A	ASP841
A	TYR867
A	GLU880
A	ILE881
A	VAL882
A	ALA885
A	MET953
A	ASP964

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Functional Information from PROSITE/UniProt

site_id	PS00915
Number of Residues	15
Details	PI3_4_KINASE_1 Phosphatidylinositol 3- and 4-kinases signature 1. FKhg.DDLRQDmlilQ

Chain	Residue	Details
A	PHE832-GLN846

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site_id	PS00916
Number of Residues	21
Details	PI3_4_KINASE_2 Phosphatidylinositol 3- and 4-kinases signature 2. ScAgycVatFVLgIgDRHndN

Chain	Residue	Details
A	SER931-ASN951

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	GLY829
A	LEU864
A	PHE961

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site_id	SWS_FT_FI2
Number of Residues	1
Details	MOD_RES: Phosphothreonine; by PKA => ECO:0000250|UniProtKB:Q9JHG7

Chain	Residue	Details
A	THR1024

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site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: Phosphoserine; by autocatalysis => ECO:0000269|PubMed:12502714

Chain	Residue	Details
A	SER1101

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