PDB entry 5mrd

View 5mrd on RCSB PDB site
Description: Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket
Class: transferase
Keywords: Protein Kinase, Allosteric Regulation, Small Compounds, PIF-pocket, transferase
Deposited on 2016-12-22, released 2017-01-18
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-10-16, with a file datestamp of 2019-10-11.
Experiment type: XRAY
Resolution: 1.41 Å
R-factor: N/A
AEROSPACI score: 0.53 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3-phosphoinositide-dependent protein kinase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PDPK1, PDK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot O15530 (Start-309)
      • engineered mutation (26)
      • engineered mutation (63)
      • engineered mutation (68-69)
      • engineered mutation (74)
      • engineered mutation (78)
      • engineered mutation (81)
      • engineered mutation (98)
      • conflict (238)
      • conflict (242)
    Domains in SCOPe 2.08: d5mrda_
  • Heterogens: S26, DTT, DMS, ATP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5mrdA (A:)
amdgtaaeprpgagslqhaqpppqprskrpedfkfgkilgegsfstvvlarelatsreya
ikivekrhvnkenkipyvqrekdvmsrldhpffvklyfcfqddeklyfglsyakngellk
yirkigsfdetctrfytaeivsaleylhgkgiihrdlkpenillnedmhiqitdfgtakv
lspeskqaransfvgtaqyvspellteksackssdlwalgciiyqlvaglppfragnegl
ifakiikleydfpekffpkardlvekllvldatkrlgceemegygplkahpffesvtwen
lhqqtppklt

    Sequence, based on observed residues (ATOM records): (download) 
    >5mrdA (A:)
skrpedfkfgkilgegsfstvvlarelatsreyaikivekrhvnkenkipyvqrekdvms
rldhpffvklyfcfqddeklyfglsyakngellkyirkigsfdetctrfytaeivsaley
lhgkgiihrdlkpenillnedmhiqitdfgtakvlspeskqaransfvgtaqyvspellt
eksackssdlwalgciiyqlvaglppfragneglifakiikleydfpekffpkardlvek
llvldatkrlgceemegygplkahpffesvtwenlhqqtppklt