PDB entry 3pre

View 3pre on RCSB PDB site
Description: Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Class: transferase/transferase inhibitor
Keywords: PHOSPHOINOSITIDE KINASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2010-11-29, released 2011-02-09
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-02-23, with a file datestamp of 2011-02-18.
Experiment type: XRAY
Resolution: 2.91 Å
R-factor: 0.235
AEROSPACI score: 0.17 (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): Domains in SCOPe 2.07: d3prea1, d3prea2, d3prea3, d3prea4
  • Heterogens: 3RE

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >3preA (A:)
    seesqafqrqltaligydvtdvsnvhddeleftrrglvtprmaevasrdpklyamhpwvt
    skplpeylwkkianncifivihrsttsqtikvspddtpgailqsfftkmadfvlrvcgrd
    eylvgetpiknfqwvrhclkngeeihvvldtppdpaldevrkeeslwdcdrkfrvkirgi
    dipvlltvfveaniqhgqqvlcqrrtspkpfteevlwnvwlefsikikdlpkgallnlqi
    ycvqllyyvnlllidhrfllrrgeyvlhmwqisgfnadkltsatnpdkensmsisilldn
    ialpraempnqlrkqleaiiatdplnpltaedkellwhfryeslkhpkaypklfssvkwg
    qqeivaktyqllarrevwdqsaldvgltmqlldcnfsdenvraiavqklesledddvlhy
    llqlvqavkfepyhdsalarfllkrglrnkrighflfwflrseiaqsrhyqqrfavilea
    ylrgcgtamlhdftqqvqviemlqkvtldikslsssqvisqlkqklenlqnsqlpesfrv
    pydpglkagalaiekckvmaskkkplwlefkcadptalsnetigiifkhgddlrqdmlil
    qilrimesiwetesldlcllpygcistgdkigmieivkdattiakiqqstvgntgafkde
    vlnhwlkekspteekfqaaverfvyscagycvatfvlgigdrhndnimitetgnlfhidf
    ghilgnyrvpfvltpdflfvmgtsgkktsphfqkfqdicvkaylalrhhtnlliilfsmm
    lmtgmpqltskedieyirdaltvgkneedakkyfldqievcrdkgwtvqfnwflhlvlg