PDB entry 3ml8

View 3ml8 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-TRANSFERASE INHIBITOR complex
Deposited on 2010-04-16, released 2010-06-02
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-07-09, with a file datestamp of 2014-07-03.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: 0.25
AEROSPACI score: 0.16 (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 2.05: d3ml8a1, d3ml8a2, d3ml8a3, d3ml8a4
  • Heterogens: ML8

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3ml8A (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) 
    >3ml8A (A:)
seesqafqrqltaligydvtdvsnvhddeleftrrglvtprmaevasrdpklyamhpwvt
skplpeylwkkianncifivihrsttsqtikvspddtpgailqsfftdfvlrvcgrdeyl
vgetpiknfqwvrhclkngeeihvvldtppdpaldevrkeetvslwdcdrkfrvkirgid
ipvlltvfveaniqhgqqvlcqrrtspkpfteevlwnvwlefsikikdlpkgallnlqiy
cllyyvnlllidhrfllrrgeyvlhmwqisgsfnadkltsatnpdkensmsisilldnyc
hpialpkraempnqlrkqleaiiatdplnpltaedkellwhfryeslkhpkaypklfssv
kwgqqeivaktyqllarrevwdqsaldvgltmqlldcnfsdenvraiavqklesledddv
lhyllqlvqavkfepyhdsalarfllkrglrnkrighflfwflrseiaqsrhyqqrfavi
leaylrgcgtamlhdftqqvqviemlqkvtldikslsssqvisqlkqklenlqnsqlpes
frvpydpglkagalaiekckvmaskkkplwlefkcadptalsnetigiifkhgddlrqdm
lilqilrimesiwetesldlcllpygcistgdkigmieivkdattiakiqqstvgntgaf
kdevlnhwlkekspteekfqaaverfvyscagycvatfvlgigdrhndnimitetgnlfh
idfghilgnyervpfvltpdflfvmgtsgkktsphfqkfqdicvkaylalrhhtnlliil
fsmmlmtgmpqltskedieyirdaltvgkneedakkyfldqievcrdkgwtvqfnwflhl
vlg