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5WHR

Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate.

Functional Information from GO Data
ChainGOidnamespacecontents
A0002376biological_processimmune system process
A0004833molecular_functionL-tryptophan 2,3-dioxygenase activity
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006569biological_processL-tryptophan catabolic process
A0007565biological_processfemale pregnancy
A0009055molecular_functionelectron transfer activity
A0016491molecular_functionoxidoreductase activity
A0019441biological_processL-tryptophan catabolic process to kynurenine
A0019805biological_processquinolinate biosynthetic process
A0020037molecular_functionheme binding
A0030485cellular_componentsmooth muscle contractile fiber
A0032421cellular_componentstereocilium bundle
A0033754molecular_functionindoleamine 2,3-dioxygenase activity
A0034354biological_process'de novo' NAD+ biosynthetic process from L-tryptophan
A0046006biological_processregulation of activated T cell proliferation
A0046872molecular_functionmetal ion binding
A0051213molecular_functiondioxygenase activity
A0070234biological_processpositive regulation of T cell apoptotic process
B0002376biological_processimmune system process
B0004833molecular_functionL-tryptophan 2,3-dioxygenase activity
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0006569biological_processL-tryptophan catabolic process
B0007565biological_processfemale pregnancy
B0009055molecular_functionelectron transfer activity
B0016491molecular_functionoxidoreductase activity
B0019441biological_processL-tryptophan catabolic process to kynurenine
B0019805biological_processquinolinate biosynthetic process
B0020037molecular_functionheme binding
B0030485cellular_componentsmooth muscle contractile fiber
B0032421cellular_componentstereocilium bundle
B0033754molecular_functionindoleamine 2,3-dioxygenase activity
B0034354biological_process'de novo' NAD+ biosynthetic process from L-tryptophan
B0046006biological_processregulation of activated T cell proliferation
B0046872molecular_functionmetal ion binding
B0051213molecular_functiondioxygenase activity
B0070234biological_processpositive regulation of T cell apoptotic process
Functional Information from PDB Data
site_idAC1
Number of Residues21
Detailsbinding site for residue HEM A 501
ChainResidue
APHE163
ATYR353
AILE354
ATHR379
AGLY380
AGLY381
ATHR382
ALEU384
AVAL391
AAOJ502
AHOH601
ASER167
AHOH646
AHOH673
APHE214
APHE226
AALA264
APHE270
AARG343
AHIS346
AILE349

site_idAC2
Number of Residues12
Detailsbinding site for residue AOJ A 502
ChainResidue
ATYR126
AVAL130
APHE163
ASER167
APHE226
ALEU234
AGLY262
ASER263
AALA264
AGLY378
ATHR379
AHEM501

site_idAC3
Number of Residues23
Detailsbinding site for residue HEM B 501
ChainResidue
BTYR126
BPHE163
BVAL170
BPHE214
BPHE226
BALA264
BPHE270
BARG343
BHIS346
BILE349
BVAL350
BTYR353
BILE354
BTHR379
BGLY380
BGLY381
BTHR382
BPHE387
BLEU388
BVAL391
BAOJ502
BHOH610
BHOH635

site_idAC4
Number of Residues12
Detailsbinding site for residue AOJ B 502
ChainResidue
BTYR126
BVAL130
BPHE163
BSER167
BPHE226
BLEU234
BGLY262
BSER263
BALA264
BGLY378
BTHR379
BHEM501

Functional Information from PROSITE/UniProt
site_idPS00876
Number of Residues11
DetailsIDO_1 Indoleamine 2,3-dioxygenase signature 1. GGSAGQSSvfQ
ChainResidueDetails
AGLY261-GLN271

site_idPS00877
Number of Residues14
DetailsIDO_2 Indoleamine 2,3-dioxygenase signature 2. FLQDMrrYMppaHR
ChainResidueDetails
APHE291-ARG304

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBinding site: {"description":"proximal binding residue","evidences":[{"source":"PubMed","id":"16477023","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25313323","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2D0T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2D0U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PK5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PK6","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

246905

PDB entries from 2025-12-31

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