Structure of PDB 7e0t Chain A
Receptor sequence
>7e0tA (length=371) Species:
9606
(Homo sapiens) [
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SKEYHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVEK
LNMLSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPY
CQLSKKLELPPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSK
GFFLVSLLVEIAAASAIKVIPTVFKAMQMQERDTLLKALLEIASCLEKAL
QVFHQIHDHVNPKAFFSVLRIYLSGWKGNPQLSDGLVYEGFWEDPKEFAG
GSAGQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMPPAHRNFLCSLE
SNPSVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQT
GGTDLMNFLKTVRSTTEKSLL
3D structure
PDB
7e0t
X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
Chain
A
Resolution
2.137 Å
3D
structure
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Enzymatic activity
Enzyme Commision number
1.13.11.52
: indoleamine 2,3-dioxygenase.
Interaction with ligand
Site
#
Ligand
Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01
HEM
A
F163 S167 V170 F214 I217 F226 S263 A264 F270 R343 H346 I349 L384 F387
F152 S156 V159 F203 I206 F215 S252 A253 F259 R332 H335 I338 L355 F358
BS02
HU9
A
F163 F226 G262 S263 A264
F152 F215 G251 S252 A253
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
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7e0t
,
PDBe:7e0t
,
PDBj:7e0t
PDBsum
7e0t
PubMed
34110158
UniProt
P14902
|I23O1_HUMAN Indoleamine 2,3-dioxygenase 1 (Gene Name=IDO1)
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