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 2.06 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 2.06: 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