Structure of PDB 6cxv Chain A Binding Site BS03
Receptor Information
>6cxv Chain A (length=378) Species:
9606
(Homo sapiens) [
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YHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVEKLNM
LSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQL
SKKLELPPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFF
LVHLLVEIAAASAIKVIPTVFKAMQMQERDTLLKALLEIASCLEKALQVF
HQIHDHVNPKAFFSVLRIYLSGWKGNPQLSDGLVYEGFWEDPKEFAGGSA
GQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMPPAHRNFLCSLESNP
SVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQQPLE
AKGTGGTDLMNFLKTVRSTTEKSLLKEG
Ligand information
Ligand ID
ZCW
InChI
InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
InChIKey
MBBOMCVGYCRMEA-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.370
OCCc1c[nH]c2ccccc12
ACDLabs 12.01
OCCc2c1ccccc1nc2
OpenEye OEToolkits 1.7.6
c1ccc2c(c1)c(c[nH]2)CCO
Formula
C10 H11 N O
Name
2-(1H-indol-3-yl)ethanol
ChEMBL
CHEMBL226545
DrugBank
ZINC
ZINC000000003252
PDB chain
6cxv Chain A Residue 504 [
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Receptor-Ligand Complex Structure
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PDB
6cxv
Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
F270 L342 R343 H346
Binding residue
(residue number reindexed from 1)
F256 L328 R329 H332
Annotation score
2
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
PDBsum
6cxv
PubMed
29897749
UniProt
P14902
|I23O1_HUMAN Indoleamine 2,3-dioxygenase 1 (Gene Name=IDO1)
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