PDB entry 3orx

View 3orx on RCSB PDB site
Description: PDK1 mutant bound to allosteric disulfide fragment inhibitor 1F8
Class: transferase/transferase inhibitor
Keywords: PIF pocket, C-helix, activation loop, AGC kinase, Transferase, Allosteric inhibitor, Phosphorylation, allostery, disulfide, kinase, PDK1, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2010-09-08, released 2011-03-23
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-04-27, with a file datestamp of 2011-04-22.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.209
AEROSPACI score: 0.37 (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: PDK1, PDPK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot O15530 (Start-315)
      • engineered mutation (104)
    Domains in SCOPe 2.06: d3orxa_
  • Chain 'B':
    Compound: 3-phosphoinositide-dependent protein kinase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PDK1, PDPK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot O15530 (Start-315)
      • engineered mutation (104)
    Domains in SCOPe 2.06: d3orxb_
  • Chain 'C':
    Compound: 3-phosphoinositide-dependent protein kinase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PDK1, PDPK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot O15530 (Start-315)
      • engineered mutation (104)
    Domains in SCOPe 2.06: d3orxc_
  • Chain 'D':
    Compound: 3-phosphoinositide-dependent protein kinase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PDK1, PDPK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot O15530 (Start-315)
      • engineered mutation (104)
    Domains in SCOPe 2.06: d3orxd_
  • Chain 'E':
    Compound: 3-phosphoinositide-dependent protein kinase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PDK1, PDPK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot O15530 (Start-315)
      • engineered mutation (104)
    Domains in SCOPe 2.06: d3orxe_
  • Chain 'F':
    Compound: 3-phosphoinositide-dependent protein kinase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PDK1, PDPK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot O15530 (Start-315)
      • engineered mutation (104)
    Domains in SCOPe 2.06: d3orxf_
  • Chain 'G':
    Compound: 3-phosphoinositide-dependent protein kinase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PDK1, PDPK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot O15530 (Start-315)
      • engineered mutation (104)
    Domains in SCOPe 2.06: d3orxg_
  • Chain 'H':
    Compound: 3-phosphoinositide-dependent protein kinase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PDK1, PDPK1
    Database cross-references and differences (RAF-indexed):
    • Uniprot O15530 (Start-315)
      • engineered mutation (104)
    Domains in SCOPe 2.06: d3orxh_
  • Heterogens: 1F8, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3orxA (A:)
    gamdpefmdgtaaeprpgagslqhaqpppqprkkrpedfkfgkilgegsfstvvlarela
    tsreyaikilekrhiikenkvpyvtrerdvmsrldhpffvklyfcfqddeklyfglsyak
    ngellkyirkigsfdetctrfytaeivsaleylhgkgiihrdlkpenillnedmhiqitd
    fgtakvlspeskqaransfvgtaqyvspellteksackssdlwalgciiyqlvaglppfr
    agneylifqkiikleydfpekffpkardlvekllvldatkrlgceemegygplkahpffe
    svtwenlhqqtppklt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3orxA (A:)
    rkkrpedfkfgkilgegsfstvvlarelatsreyaikilekrhiikenkvpyvtrerdvm
    srldhpffvklyfcfqddeklyfglsyakngellkyirkigsfdetctrfytaeivsale
    ylhgkgiihrdlkpenillnedmhiqitdfgtakvlspeskqransfvgtaqyvspellt
    eksackssdlwalgciiyqlvaglppfragneylifqkiikleydfpekffpkardlvek
    llvldatkrlgceemegygplkahpffesvtwenlhqqtppklt
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3orxB (B:)
    gamdpefmdgtaaeprpgagslqhaqpppqprkkrpedfkfgkilgegsfstvvlarela
    tsreyaikilekrhiikenkvpyvtrerdvmsrldhpffvklyfcfqddeklyfglsyak
    ngellkyirkigsfdetctrfytaeivsaleylhgkgiihrdlkpenillnedmhiqitd
    fgtakvlspeskqaransfvgtaqyvspellteksackssdlwalgciiyqlvaglppfr
    agneylifqkiikleydfpekffpkardlvekllvldatkrlgceemegygplkahpffe
    svtwenlhqqtppklt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3orxB (B:)
    krpedfkfgkilgegsfstvvlarelatsreyaikilekrhiikenkvpyvtrerdvmsr
    ldhpffvklyfcfqddeklyfglsyakngellkyirkigsfdetctrfytaeivsaleyl
    hgkgiihrdlkpenillnedmhiqitdfgtakvlspeskqansfvgtaqyvspellteks
    ackssdlwalgciiyqlvaglppfragneylifqkiikleydfpekffpkardlvekllv
    ldatkrlgceemegygplkahpffesvtwenlhqqtppklt
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3orxC (C:)
    gamdpefmdgtaaeprpgagslqhaqpppqprkkrpedfkfgkilgegsfstvvlarela
    tsreyaikilekrhiikenkvpyvtrerdvmsrldhpffvklyfcfqddeklyfglsyak
    ngellkyirkigsfdetctrfytaeivsaleylhgkgiihrdlkpenillnedmhiqitd
    fgtakvlspeskqaransfvgtaqyvspellteksackssdlwalgciiyqlvaglppfr
    agneylifqkiikleydfpekffpkardlvekllvldatkrlgceemegygplkahpffe
    svtwenlhqqtppklt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3orxC (C:)
    rkkrpedfkfgkilgegsfstvvlarelatsreyaikilekrhiikenkvpyvtrerdvm
    srldhpffvklyfcfqddeklyfglsyakngellkyirkigsfdetctrfytaeivsale
    ylhgkgiihrdlkpenillnedmhiqitdfgtakvlspeskqransfvgtaqyvspellt
    eksackssdlwalgciiyqlvaglppfragneylifqkiikleydfpekffpkardlvek
    llvldatkrlgceemegygplkahpffesvtwenlhqqtppklt
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3orxD (D:)
    gamdpefmdgtaaeprpgagslqhaqpppqprkkrpedfkfgkilgegsfstvvlarela
    tsreyaikilekrhiikenkvpyvtrerdvmsrldhpffvklyfcfqddeklyfglsyak
    ngellkyirkigsfdetctrfytaeivsaleylhgkgiihrdlkpenillnedmhiqitd
    fgtakvlspeskqaransfvgtaqyvspellteksackssdlwalgciiyqlvaglppfr
    agneylifqkiikleydfpekffpkardlvekllvldatkrlgceemegygplkahpffe
    svtwenlhqqtppklt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3orxD (D:)
    kkrpedfkfgkilgegsfstvvlarelatsreyaikilekrhiikenkvpyvtrerdvms
    rldhpffvklyfcfqddeklyfglsyakngellkyirkigsfdetctrfytaeivsaley
    lhgkgiihrdlkpenillnedmhiqitdfgtakvlspeskqransfvgtaqyvspellte
    ksackssdlwalgciiyqlvaglppfragneylifqkiikleydfpekffpkardlvekl
    lvldatkrlgceemegygplkahpffesvtwenlhqqtppklt
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3orxE (E:)
    gamdpefmdgtaaeprpgagslqhaqpppqprkkrpedfkfgkilgegsfstvvlarela
    tsreyaikilekrhiikenkvpyvtrerdvmsrldhpffvklyfcfqddeklyfglsyak
    ngellkyirkigsfdetctrfytaeivsaleylhgkgiihrdlkpenillnedmhiqitd
    fgtakvlspeskqaransfvgtaqyvspellteksackssdlwalgciiyqlvaglppfr
    agneylifqkiikleydfpekffpkardlvekllvldatkrlgceemegygplkahpffe
    svtwenlhqqtppklt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3orxE (E:)
    kkrpedfkfgkilgegsfstvvlarelatsreyaikilekrhiikenkvpyvtrerdvms
    rldhpffvklyfcfqddeklyfglsyakngellkyirkigsfdetctrfytaeivsaley
    lhgkgiihrdlkpenillnedmhiqitdfgtakvlsfvgtaqyvspellteksackssdl
    walgciiyqlvaglppfragneylifqkiikleydfpekffpkardlvekllvldatkrl
    gceemegygplkahpffesvtwenlhqqtppklt
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3orxF (F:)
    gamdpefmdgtaaeprpgagslqhaqpppqprkkrpedfkfgkilgegsfstvvlarela
    tsreyaikilekrhiikenkvpyvtrerdvmsrldhpffvklyfcfqddeklyfglsyak
    ngellkyirkigsfdetctrfytaeivsaleylhgkgiihrdlkpenillnedmhiqitd
    fgtakvlspeskqaransfvgtaqyvspellteksackssdlwalgciiyqlvaglppfr
    agneylifqkiikleydfpekffpkardlvekllvldatkrlgceemegygplkahpffe
    svtwenlhqqtppklt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3orxF (F:)
    rkkrpedfkfgkilgegsfstvvlarelatsreyaikilekrhiikenkvpyvtrerdvm
    srldhpffvklyfcfqddeklyfglsyakngellkyirkigsfdetctrfytaeivsale
    ylhgkgiihrdlkpenillnedmhiqitdfgtakvlsfvgtaqyvspellteksackssd
    lwalgciiyqlvaglppfragneylifqkiikleydfpekffpkardlvekllvldatkr
    lgceemegygplkahpffesvtwenlhqqtppklt
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >3orxG (G:)
    gamdpefmdgtaaeprpgagslqhaqpppqprkkrpedfkfgkilgegsfstvvlarela
    tsreyaikilekrhiikenkvpyvtrerdvmsrldhpffvklyfcfqddeklyfglsyak
    ngellkyirkigsfdetctrfytaeivsaleylhgkgiihrdlkpenillnedmhiqitd
    fgtakvlspeskqaransfvgtaqyvspellteksackssdlwalgciiyqlvaglppfr
    agneylifqkiikleydfpekffpkardlvekllvldatkrlgceemegygplkahpffe
    svtwenlhqqtppklt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3orxG (G:)
    rkkrpedfkfgkilgegsfstvvlarelatsreyaikilekrhiikenkvpyvtrerdvm
    srldhpffvklyfcfqddeklyfglsyakngellkyirkigsfdetctrfytaeivsale
    ylhgkgiihrdlkpenillnedmhiqitdfgtakvlsfvgtaqyvspellteksackssd
    lwalgciiyqlvaglppfragneylifqkiikleydfpekffpkardlvekllvldatkr
    lgceemegygplkahpffesvtwenlhqqtppklt
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >3orxH (H:)
    gamdpefmdgtaaeprpgagslqhaqpppqprkkrpedfkfgkilgegsfstvvlarela
    tsreyaikilekrhiikenkvpyvtrerdvmsrldhpffvklyfcfqddeklyfglsyak
    ngellkyirkigsfdetctrfytaeivsaleylhgkgiihrdlkpenillnedmhiqitd
    fgtakvlspeskqaransfvgtaqyvspellteksackssdlwalgciiyqlvaglppfr
    agneylifqkiikleydfpekffpkardlvekllvldatkrlgceemegygplkahpffe
    svtwenlhqqtppklt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3orxH (H:)
    rkkrpedfkfgkilgegsfstvvlarelatsreyaikilekrhiikenkvpyvtrerdvm
    srldhpffvklyfcfqddeklyfglsyakngellkyirkigsfdetctrfytaeivsale
    ylhgkgiihrdlkpenillnedmhiqitdfgtakvlsfvgtaqyvspellteksackssd
    lwalgciiyqlvaglppfragneylifqkiikleydfpekffpkardlvekllvldatkr
    lgceemegygplkahpffesvtwenlhqqtppklt