PDB entry 5whr

View 5whr on RCSB PDB site
Description: Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate.
Class: OXIDOREDUCTASE/Inhibitor
Keywords: Cancer immunotherapy, Small molecule inhibitor, OXIDOREDUCTASE, OXIDOREDUCTASE-Inhibitor complex
Deposited on 2017-07-18, released 2017-12-27
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-12-27, with a file datestamp of 2017-12-22.
Experiment type: XRAY
Resolution: 2.28 Å
R-factor: N/A
AEROSPACI score: 0.25 (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: d5whra_
  • 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: d5whrb_
  • Heterogens: AOJ, HEM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5whrA (A:)
gskeyhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhl
tdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlskklelppilvyadcv
lanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqm
qerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvye
gfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcsl
esnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqqpkenktsed
pskleakgtggtdlmnflktvrstteksllkeg

    Sequence, based on observed residues (ATOM records): (download) 
    >5whrA (A:)
eyhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhltdh
ksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlskklelppilvyadcvlan
wkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmqer
dtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyegfw
edpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcslesn
psvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqqakgtggtdlmnf
lktvrstteksllke

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5whrB (B:)
gskeyhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhl
tdhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlskklelppilvyadcv
lanwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqm
qerdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvye
gfwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcsl
esnpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqqpkenktsed
pskleakgtggtdlmnflktvrstteksllkeg

    Sequence, based on observed residues (ATOM records): (download) 
    >5whrB (B:)
skeyhideevgfalpnpqenlpdfyndwmfiakhlpdliesgqlrerveklnmlsidhlt
dhksqrlarlvlgcitmayvwgkghgdvrkvlprniavpycqlskklelppilvyadcvl
anwkkkdpnkpltyenmdvlfsfrdgdcskgfflvsllveiaaasaikviptvfkamqmq
erdtllkalleiasclekalqvfhqihdhvnpkaffsvlriylsgwkgnpqlsdglvyeg
fwedpkefaggsagqssvfqcfdvllgiqqtaggghaaqflqdmrrymppahrnflcsle
snpsvrefvlskgdaglreaydacvkalvslrsyhlqivtkyilipasqkgtggtdlmnf
lktvrstteksllk