PDB entry 6dpq

View 6dpq on RCSB PDB site
Description: Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: indoleamine 2, 3-dioxygenase, heme-containing enzyme, BMS-986205, structure-based design, hIDO1-selective inhibitor, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2018-06-09, released 2018-11-07
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-11-27, with a file datestamp of 2019-11-22.
Experiment type: XRAY
Resolution: 2.94 Å
R-factor: N/A
AEROSPACI score: 0.14 (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): Domains in SCOPe 2.08: d6dpqa_
  • Chain 'B':
    Compound: Indoleamine 2,3-dioxygenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: IDO1, IDO, INDO
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6dpqb_
  • Heterogens: HEM, GOL, H7P, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6dpqA (A:)
    mskeyhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhl
    tdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlskklelppilvyadcv
    lanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqm
    qerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvye
    gfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcsl
    esnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqqpkenktsed
    pskleakgtggtdlmnflktvrstteksllkegkgelnsklegkpipnpllgldstrtgh
    hhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6dpqA (A:)
    keyhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltd
    hksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlskklelppilvyadcvla
    nwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqe
    rdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegf
    wedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcsles
    npsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqtggtdlmnflkt
    vrstteksllk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6dpqB (B:)
    mskeyhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhl
    tdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlskklelppilvyadcv
    lanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqm
    qerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvye
    gfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcsl
    esnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqqpkenktsed
    pskleakgtggtdlmnflktvrstteksllkegkgelnsklegkpipnpllgldstrtgh
    hhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6dpqB (B:)
    keyhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltd
    hksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlskklelppilvyadcvla
    nwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqe
    rdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegf
    wedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcsles
    npsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipalmnflktvrsttek
    sllke