PDB entry 6pu7

View 6pu7 on RCSB PDB site
Description: Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide)
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: indoleamine, dioxygenase, heme, inhibitor, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2019-07-17, released 2019-12-04
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-04, with a file datestamp of 2019-11-29.
Experiment type: XRAY
Resolution: 2.43 Å
R-factor: N/A
AEROSPACI score: 0.23 (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 (1-End)
      • initiating methionine (0)
    Domains in SCOPe 2.08: d6pu7a_
  • 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 (1-392)
      • initiating methionine (0)
    Domains in SCOPe 2.08: d6pu7b1, d6pu7b2
  • Heterogens: HEM, OY4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6pu7A (A:)
miskeyhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidh
ltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlskklelppilvyadc
vlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamq
mqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvy
egfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcs
lesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqqpkenktse
dpskleakgtggtdlmnflktvrstteksllke

    Sequence, based on observed residues (ATOM records): (download) 
    >6pu7A (A:)
miskeyhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidh
ltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlskklelppilvyadc
vlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamq
mqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvy
egfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcs
lesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqqtggtdlmn
flktvrstteksllk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6pu7B (B:)
miskeyhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidh
ltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlskklelppilvyadc
vlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamq
mqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvy
egfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcs
lesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqqpkenktse
dpskleakgtggtdlmnflktvrstteksllke

    Sequence, based on observed residues (ATOM records): (download) 
    >6pu7B (B:)
miskeyhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidh
ltdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlskklelppilvyadc
vlanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamq
mqerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvy
egfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcs
lesnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqqgtdlmnfl
ktvrstteksllke