PDB entry 6e42

View 6e42 on RCSB PDB site
Description: CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and 4-Chlorophenyl imidazole
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: IDO1, 4-Chlorophenyl imidazole, inhibitor complex, oxidoreductase-oxidoreductase inhibitor complex
Deposited on 2018-07-16, released 2018-11-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-11-14, with a file datestamp of 2018-11-09.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: N/A
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Indoleamine 2,3-dioxygenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: IDO1, IDO, INDO
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14902
      • engineered mutation (117-118)
    Domains in SCOPe 2.07: d6e42a_
  • Chain 'B':
    Compound: Indoleamine 2,3-dioxygenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: IDO1, IDO, INDO
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14902
      • engineered mutation (117-118)
    Domains in SCOPe 2.07: d6e42b_
  • Chain 'C':
    Compound: Indoleamine 2,3-dioxygenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: IDO1, IDO, INDO
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14902
      • engineered mutation (117-118)
    Domains in SCOPe 2.07: d6e42c_
  • Chain 'D':
    Compound: Indoleamine 2,3-dioxygenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: IDO1, IDO, INDO
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14902
      • engineered mutation (117-118)
    Domains in SCOPe 2.07: d6e42d_
  • Heterogens: HQJ, HEM, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6e42A (A:)
    mgsshhhhhhssgsaayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrer
    veklnmlsidhltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaal
    elppilvyadcvlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasai
    kviptvfkamqmqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwk
    gnpqlsdglvyegfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrry
    mppahrnflcslesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipa
    sqqpkenktsedpskleakgtggtdlmnflktvrstteksllkeg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e42A (A:)
    vgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdhksqrlar
    lvlgcitmayvwgkghgdvrkvlprniavpycqlsaalelppilvyadcvlanwkkkdpn
    kpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqerdtllkal
    leiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfwedpkefa
    ggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesnpsvrefv
    lskgdaglreaydacvkalvslrsyhlqivtkyilipasqgtdlmnflktvrstteksll
    ke
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6e42B (B:)
    mgsshhhhhhssgsaayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrer
    veklnmlsidhltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaal
    elppilvyadcvlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasai
    kviptvfkamqmqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwk
    gnpqlsdglvyegfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrry
    mppahrnflcslesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipa
    sqqpkenktsedpskleakgtggtdlmnflktvrstteksllkeg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e42B (B:)
    vgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdhksqrlar
    lvlgcitmayvwgkghgdvrkvlprniavpycqlsaalelppilvyadcvlanwkkkdpn
    kpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqerdtllkal
    leiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfwedpkefa
    ggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesnpsvrefv
    lskgdaglreaydacvkalvslrsyhlqivtkyilipasqggtdlmnflktvrstteksl
    lk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6e42C (C:)
    mgsshhhhhhssgsaayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrer
    veklnmlsidhltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaal
    elppilvyadcvlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasai
    kviptvfkamqmqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwk
    gnpqlsdglvyegfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrry
    mppahrnflcslesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipa
    sqqpkenktsedpskleakgtggtdlmnflktvrstteksllkeg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e42C (C:)
    vgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdhksqrlar
    lvlgcitmayvwgkghgdvrkvlprniavpycqlsaalelppilvyadcvlanwkkkdpn
    kpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqerdtllkal
    leiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfwedpkefa
    ggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesnpsvrefv
    lskgdaglreaydacvkalvslrsyhlqivtkyilipasqggtdlmnflktvrstteksl
    lk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6e42D (D:)
    mgsshhhhhhssgsaayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrer
    veklnmlsidhltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaal
    elppilvyadcvlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasai
    kviptvfkamqmqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwk
    gnpqlsdglvyegfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrry
    mppahrnflcslesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipa
    sqqpkenktsedpskleakgtggtdlmnflktvrstteksllkeg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e42D (D:)
    vgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdhksqrlar
    lvlgcitmayvwgkghgdvrkvlprniavpycqlsaalelppilvyadcvlanwkkkdpn
    kpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqerdtllkal
    leiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfwedpkefa
    ggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesnpsvrefv
    lskgdaglreaydacvkalvslrsyhlqivtkyilipasqqpskleakgtggtdlmnflk
    tvrstteksllk