Structure of PDB 6cxv Chain B Binding Site BS03

Receptor Information
>6cxv Chain B (length=377) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVEKLNM
LSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQL
SKKLELPPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFF
LVHLLVEIAAASAIKVIPTVFKAMQMQERDTLLKALLEIASCLEKALQVF
HQIHDHVNPKAFFSVLRIYLSGWKGNPQLSDGLVYEGFWEDPKEFAGGSA
GQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMPPAHRNFLCSLESNP
SVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQQPLE
AKGTGGTDLMNFLKTVRSTTEKSLLKE
Ligand information
Ligand IDZCW
InChIInChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
InChIKeyMBBOMCVGYCRMEA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OCCc1c[nH]c2ccccc12
ACDLabs 12.01OCCc2c1ccccc1nc2
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CCO
FormulaC10 H11 N O
Name2-(1H-indol-3-yl)ethanol
ChEMBLCHEMBL226545
DrugBank
ZINCZINC000000003252
PDB chain6cxv Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cxv Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		F270 L342 R343 H346
Binding residue
(residue number reindexed from 1)		F256 L328 R329 H332
Annotation score2
Enzymatic activity
Enzyme Commision number 1.13.11.52: indoleamine 2,3-dioxygenase.
Gene Ontology
Molecular Function
GO:0004833 tryptophan 2,3-dioxygenase activity
GO:0009055 electron transfer activity
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0020037 heme binding
GO:0033754 indoleamine 2,3-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0002376 immune system process
GO:0002666 positive regulation of T cell tolerance induction
GO:0002678 positive regulation of chronic inflammatory response
GO:0002830 positive regulation of type 2 immune response
GO:0006569 tryptophan catabolic process
GO:0006954 inflammatory response
GO:0007565 female pregnancy
GO:0019441 tryptophan catabolic process to kynurenine
GO:0019805 quinolinate biosynthetic process
GO:0032496 response to lipopolysaccharide
GO:0032693 negative regulation of interleukin-10 production
GO:0032735 positive regulation of interleukin-12 production
GO:0033555 multicellular organismal response to stress
GO:0034276 kynurenic acid biosynthetic process
GO:0034354 'de novo' NAD biosynthetic process from tryptophan
GO:0036269 swimming behavior
GO:0042098 T cell proliferation
GO:0042130 negative regulation of T cell proliferation
GO:0043065 positive regulation of apoptotic process
GO:0046006 regulation of activated T cell proliferation
GO:0070233 negative regulation of T cell apoptotic process
GO:0070234 positive regulation of T cell apoptotic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0030485 smooth muscle contractile fiber
GO:0032421 stereocilium bundle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6cxv, PDBe:6cxv, PDBj:6cxv
PDBsum6cxv
PubMed29897749
UniProtP14902|I23O1_HUMAN Indoleamine 2,3-dioxygenase 1 (Gene Name=IDO1)

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