PDB entry 6e43

View 6e43 on RCSB PDB site
Description: Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) in complex with a BMS-978587 analog
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: IDO1, BMS-978587 analog, 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: 1.71 Å
R-factor: N/A
AEROSPACI score: 0.4 (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 (16-End)
      • engineered mutation (117-118)
    Domains in SCOPe 2.07: d6e43a_
  • 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 (16-End)
      • expression tag (15)
      • engineered mutation (117-118)
    Domains in SCOPe 2.07: d6e43b1, d6e43b2
  • 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 (16-404)
      • expression tag (15)
      • engineered mutation (117-118)
    Domains in SCOPe 2.07: d6e43c1, d6e43c2
  • 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 (16-404)
      • expression tag (15)
      • engineered mutation (117-118)
    Domains in SCOPe 2.07: d6e43d1, d6e43d2
  • Heterogens: HQM, BEZ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6e43A (A:)
    mgsshhhhhhssgsaayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrer
    veklnmlsidhltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaal
    elppilvyadcvlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasai
    kviptvfkamqmqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwk
    gnpqlsdglvyegfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrry
    mppahrnflcslesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipa
    sqqpkenktsedpskleakgtggtdlmnflktvrstteksllkeg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e43A (A:)
    yhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdhk
    sqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaalelppilvyadcvlanw
    kkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqerd
    tllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfwe
    dpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesnp
    svrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqakgtggtdlmnflk
    tvrstteksllk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6e43B (B:)
    mgsshhhhhhssgsaayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrer
    veklnmlsidhltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaal
    elppilvyadcvlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasai
    kviptvfkamqmqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwk
    gnpqlsdglvyegfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrry
    mppahrnflcslesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipa
    sqqpkenktsedpskleakgtggtdlmnflktvrstteksllkeg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e43B (B:)
    ayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdh
    ksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaalelppilvyadcvlan
    wkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqer
    dtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfw
    edpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesn
    psvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqakgtggtdlmnfl
    ktvrstteksllk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6e43C (C:)
    mgsshhhhhhssgsaayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrer
    veklnmlsidhltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaal
    elppilvyadcvlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasai
    kviptvfkamqmqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwk
    gnpqlsdglvyegfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrry
    mppahrnflcslesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipa
    sqqpkenktsedpskleakgtggtdlmnflktvrstteksllkeg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e43C (C:)
    ayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdh
    ksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaalelppilvyadcvlan
    wkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqer
    dtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfw
    edpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesn
    psvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqakgtggtdlmnfl
    ktvrstteksllkeg
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6e43D (D:)
    mgsshhhhhhssgsaayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrer
    veklnmlsidhltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaal
    elppilvyadcvlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasai
    kviptvfkamqmqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwk
    gnpqlsdglvyegfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrry
    mppahrnflcslesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipa
    sqqpkenktsedpskleakgtggtdlmnflktvrstteksllkeg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e43D (D:)
    ayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdh
    ksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaalelppilvyadcvlan
    wkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqer
    dtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfw
    edpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesn
    psvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqakgtggtdlmnfl
    ktvrstteksllkeg