Structure of PDB 8vzv Chain CCC Binding Site BS03
Receptor Information
>8vzv Chain CCC (length=326) Species:
9606
(Homo sapiens) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
GLIYGNYLHLEKVLNAQELQSETKGNKIHDEHLFIITHQAYELWFKQILW
ELDSVREIFQNGHVRDERNMLKVVSRMHRVSVILKLLVQQFSILETMTAL
DFNDFREYLSPASGFQSLQFRLLENKIGVLQNMRVPHYRDNFKGEENELL
LKSEQEKTLLELVEAWLERTPGLEPHGFNFWGKLEKNITRGLEEEEQVAE
FQKQKEVLLSLFDEKRHEHLLSKGERRLSYRALQGALMIYFYREEPRFQV
PFQLLTSLMDIDSLMTKWRYNHVCMVHRMLGGYHYLRSTVSDRYKVFVDL
FNLSTYLIPRHWIPKMNPTIHKFLEH
Ligand information
Ligand ID
A1AER
InChI
InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)
InChIKey
JDBSZVDIUIRSDG-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
c1cc2c(cc1F)[nH]cc2C=Cc3[nH]nnn3
OpenEye OEToolkits 2.0.7
c1cc2c(cc1F)[nH]cc2/C=C/c3[nH]nnn3
CACTVS 3.385
Fc1ccc2c([nH]cc2\C=C\c3[nH]nnn3)c1
CACTVS 3.385
Fc1ccc2c([nH]cc2C=Cc3[nH]nnn3)c1
ACDLabs 12.01
Fc1cc2[NH]cc(/C=C/c3nnn[NH]3)c2cc1
Formula
C11 H8 F N5
Name
6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-1H-indole
ChEMBL
DrugBank
ZINC
PDB chain
8vzv Chain DDD Residue 403 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
8vzv
Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase.
Resolution
2.29 Å
Binding residue
(original residue number in PDB)
Y42 Y45
Binding residue
(residue number reindexed from 1)
Y4 Y7
Annotation score
1
External links
PDB
RCSB:8vzv
,
PDBe:8vzv
,
PDBj:8vzv
PDBsum
8vzv
PubMed
39106326
UniProt
P48775
|T23O_HUMAN Tryptophan 2,3-dioxygenase (Gene Name=TDO2)
[
Back to BioLiP
]