PDB entry 3ml9

View 3ml9 on RCSB PDB site
Description: Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Class: transferase/transferase inhibitor
Keywords: phosphoinositide kinase, inhibition, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2010-04-16, released 2010-06-02
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-07-09, with a file datestamp of 2014-07-03.
Experiment type: XRAY
Resolution: 2.55 Å
R-factor: 0.245
AEROSPACI score: 0.2 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
    Species: Homo sapiens [TaxId:9606]
    Gene: PIK3CG
    Database cross-references and differences (RAF-indexed):
    • Uniprot P48736 (1-End)
      • conflict (316)
    Domains in SCOPe 2.07: d3ml9a1, d3ml9a2, d3ml9a3, d3ml9a4
  • Heterogens: ML9, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ml9A (A:)
    mseesqafqrqltaligydvtdvsnvhddeleftrrglvtprmaevasrdpklyamhpwv
    tskplpeylwkkianncifivihrsttsqtikvspddtpgailqsfftkmakkkslmdip
    esqseqdfvlrvcgrdeylvgetpiknfqwvrhclkngeeihvvldtppdpaldevrkee
    wplvddctgvtgyheqltihgkdhesvftvslwdcdrkfrvkirgidipvlprntdltvf
    veaniqhgqqvlcqrrtspkpfteevlwnvwlefsikikdlpkgallnlqiycgkapals
    skasaespsseskgkvrllyyvnlllidhrfllrrgeyvlhmwqisgkgedqgsfnadkl
    tsatnpdkensmsisilldnychpialpkhqptpdpegdrvraempnqlrkqleaiiatd
    plnpltaedkellwhfryeslkhpkaypklfssvkwgqqeivaktyqllarrevwdqsal
    dvgltmqlldcnfsdenvraiavqklesledddvlhyllqlvqavkfepyhdsalarfll
    krglrnkrighflfwflrseiaqsrhyqqrfavileaylrgcgtamlhdftqqvqvieml
    qkvtldikslsaekydvssqvisqlkqklenlqnsqlpesfrvpydpglkagalaiekck
    vmaskkkplwlefkcadptalsnetigiifkhgddlrqdmlilqilrimesiwetesldl
    cllpygcistgdkigmieivkdattiakiqqstvgntgafkdevlnhwlkekspteekfq
    aaverfvyscagycvatfvlgigdrhndnimitetgnlfhidfghilgnyksflginker
    vpfvltpdflfvmgtsgkktsphfqkfqdicvkaylalrhhtnlliilfsmmlmtgmpql
    tskedieyirdaltvgkneedakkyfldqievcrdkgwtvqfnwflhlvlgikqgekhsa
    hhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ml9A (A:)
    seesqafqrqltaligydvtdvsnvhddeleftrrglvtprmaevasrdpklyamhpwvt
    skplpeylwkkianncifivihrsttsqtikvspddtpgailqsfftkdfvlrvcgrdey
    lvgetpiknfqwvrhclkngeeihvvldtppdpaldevrketvslwdcdrkfrvkirgid
    ipvlltvfveaniqhgqqvlcqrrtspkpfteevlwnvwlefsikikdlpkgallnlqiy
    cvrllyyvnlllidhrfllrrgeyvlhmwqisgsfnadkltsatnpdkensmsisilldn
    ychpialpkraempnqlrkqleaiiatdplnpltaedkellwhfryeslkhpkaypklfs
    svkwgqqeivaktyqllarrevwdqsaldvgltmqlldcnfsdenvraiavqklesledd
    dvlhyllqlvqavkfepyhdsalarfllkrglrnkrighflfwflrseiaqsrhyqqrfa
    vileaylrgcgtamlhdftqqvqviemlqkvtldikslsdvssqvisqlkqklenlqnsq
    lpesfrvpydpglkagalaiekckvmaskkkplwlefkcadptalsnetigiifkhgddl
    rqdmlilqilrimesiwetesldlcllpygcistgdkigmieivkdattiakiqqstvgn
    tgafkdevlnhwlkekspteekfqaaverfvyscagycvatfvlgigdrhndnimitetg
    nlfhidfghilgnyervpfvltpdflfvmgtsgkktsphfqkfqdicvkaylalrhhtnl
    liilfsmmlmtgmpqltskedieyirdaltvgkneedakkyfldqievcrdkgwtvqfnw
    flhlvlg