PDB entry 6e41

View 6e41 on RCSB PDB site
Description: CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and an Epacadostat analog
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: IDO1, Epacadostat 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: 2.29 Å
R-factor: N/A
AEROSPACI score: 0.24 (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)
      • expression tag (15)
      • engineered mutation (117-118)
    Domains in SCOPe 2.07: d6e41a1, d6e41a2
  • 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: d6e41b1, d6e41b2
  • 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-End)
      • expression tag (15)
      • engineered mutation (117-118)
    Domains in SCOPe 2.07: d6e41c1, d6e41c2
  • 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-End)
      • expression tag (15)
      • engineered mutation (117-118)
    Domains in SCOPe 2.07: d6e41d1, d6e41d2
  • Heterogens: HQS, HEM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6e41A (A:)
    mgsshhhhhhssgsaayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrer
    veklnmlsidhltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaal
    elppilvyadcvlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasai
    kviptvfkamqmqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwk
    gnpqlsdglvyegfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrry
    mppahrnflcslesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipa
    sqqpkenktsedpskleakgtggtdlmnflktvrstteksllkeg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e41A (A:)
    ayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdh
    ksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaalelppilvyadcvlan
    wkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqer
    dtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfw
    edpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesn
    psvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqkleakgtggtdlm
    nflktvrstteksllke
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6e41B (B:)
    mgsshhhhhhssgsaayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrer
    veklnmlsidhltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaal
    elppilvyadcvlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasai
    kviptvfkamqmqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwk
    gnpqlsdglvyegfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrry
    mppahrnflcslesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipa
    sqqpkenktsedpskleakgtggtdlmnflktvrstteksllkeg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e41B (B:)
    ayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdh
    ksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaalelppilvyadcvlan
    wkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqer
    dtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfw
    edpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesn
    psvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqkleakgtggtdlm
    nflktvrstteksllk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6e41C (C:)
    mgsshhhhhhssgsaayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrer
    veklnmlsidhltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaal
    elppilvyadcvlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasai
    kviptvfkamqmqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwk
    gnpqlsdglvyegfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrry
    mppahrnflcslesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipa
    sqqpkenktsedpskleakgtggtdlmnflktvrstteksllkeg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e41C (C:)
    ayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdh
    ksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaalelppilvyadcvlan
    wkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqer
    dtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfw
    edpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesn
    psvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqkleakgtggtdlm
    nflktvrstteksllk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6e41D (D:)
    mgsshhhhhhssgsaayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrer
    veklnmlsidhltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaal
    elppilvyadcvlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasai
    kviptvfkamqmqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwk
    gnpqlsdglvyegfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrry
    mppahrnflcslesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipa
    sqqpkenktsedpskleakgtggtdlmnflktvrstteksllkeg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6e41D (D:)
    ayhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdh
    ksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlsaalelppilvyadcvlan
    wkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqer
    dtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfw
    edpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesn
    psvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqqskleakgtggtd
    lmnflktvrstteksllk