eF-site ID 3ml8-A PDB Code 3ml8 Chain A click to enlarge Title Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design Classification TRANSFERASE/TRANSFERASE INHIBITOR Compound Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Source Homo sapiens (Human) (PK3CG_HUMAN) Sequence A:  SEESQAFQRQLTALIGYDVTDVSNVHDDELEFTRRGLVTP RMAEVASRDPKLYAMHPWVTSKPLPEYLWKKIANNCIFIV IHRSTTSQTIKVSPDDTPGAILQSFFTDFVLRVCGRDEYL VGETPIKNFQWVRHCLKNGEEIHVVLDTPPDPALDEVRKE ETVSLWDCDRKFRVKIRGIDIPVLLTVFVEANIQHGQQVL CQRRTSPKPFTEEVLWNVWLEFSIKIKDLPKGALLNLQIY CLLYYVNLLLIDHRFLLRRGEYVLHMWQISGSFNADKLTS ATNPDKENSMSISILLDNYCHPIALPKRAEMPNQLRKQLE AIIATDPLNPLTAEDKELLWHFRYESLKHPKAYPKLFSSV KWGQQEIVAKTYQLLARREVWDQSALDVGLTMQLLDCNFS DENVRAIAVQKLESLEDDDVLHYLLQLVQAVKFEPYHDSA LARFLLKRGLRNKRIGHFLFWFLRSEIAQSRHYQQRFAVI LEAYLRGCGTAMLHDFTQQVQVIEMLQKVTLDIKSLSSSQ VISQLKQKLENLQNSQLPESFRVPYDPGLKAGALAIEKCK VMASKKKPLWLEFKCADPTALSNETIGIIFKHGDDLRQDM LILQILRIMESIWETESLDLCLLPYGCISTGDKIGMIEIV KDATTIAKIQQSTVGNTGAFKDEVLNHWLKEKSPTEEKFQ AAVERFVYSCAGYCVATFVLGIGDRHNDNIMITETGNLFH IDFGHILGNYERVPFVLTPDFLFVMGTSGKKTSPHFQKFQ DICVKAYLALRHHTNLLIILFSMMLMTGMPQLTSKEDIEY IRDALTVGKNEEDAKKYFLDQIEVCRDKGWTVQFNWFLHL VLG Description Functional site 1) chain A residue 836 type sequence D description BINDING SITE FOR RESIDUE ML8 A 9999 source : AC1 2) chain A residue 841 type sequence D description BINDING SITE FOR RESIDUE ML8 A 9999 source : AC1 3) chain A residue 867 type sequence Y description BINDING SITE FOR RESIDUE ML8 A 9999 source : AC1 4) chain A residue 880 type sequence E description BINDING SITE FOR RESIDUE ML8 A 9999 source : AC1 5) chain A residue 881 type sequence I description BINDING SITE FOR RESIDUE ML8 A 9999 source : AC1 6) chain A residue 882 type sequence V description BINDING SITE FOR RESIDUE ML8 A 9999 source : AC1 7) chain A residue 885 type sequence A description BINDING SITE FOR RESIDUE ML8 A 9999 source : AC1 8) chain A residue 953 type sequence M description BINDING SITE FOR RESIDUE ML8 A 9999 source : AC1 9) chain A residue 964 type sequence D description BINDING SITE FOR RESIDUE ML8 A 9999 source : AC1 10) chain A residue 965 type sequence F description BINDING SITE FOR RESIDUE ML8 A 9999 source : AC1 11) chain A residue 1024 type MOD_RES sequence T description Phosphothreonine; by PKA => ECO:0000250|UniProtKB:Q9JHG7 source Swiss-Prot : SWS_FT_FI2 12) chain A residue 829 type BINDING sequence G description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 13) chain A residue 864 type BINDING sequence L description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 14) chain A residue 961 type BINDING sequence F description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 15) chain A residue 832-846 type prosite sequence FKHGDDLRQDMLILQ description PI3_4_KINASE_1 Phosphatidylinositol 3- and 4-kinases signature 1. FKhg.DDLRQDmlilQ source prosite : PS00915 16) chain A residue 931-951 type prosite sequence SCAGYCVATFVLGIGDRHNDN description PI3_4_KINASE_2 Phosphatidylinositol 3- and 4-kinases signature 2. ScAgycVatFVLgIgDRHndN source prosite : PS00916

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