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 IDA1AER
InChIInChI=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)
InChIKeyJDBSZVDIUIRSDG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)[nH]cc2C=Cc3[nH]nnn3
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)[nH]cc2/C=C/c3[nH]nnn3
CACTVS 3.385Fc1ccc2c([nH]cc2\C=C\c3[nH]nnn3)c1
CACTVS 3.385Fc1ccc2c([nH]cc2C=Cc3[nH]nnn3)c1
ACDLabs 12.01Fc1cc2[NH]cc(/C=C/c3nnn[NH]3)c2cc1
FormulaC11 H8 F N5
Name6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-1H-indole
ChEMBL
DrugBank
ZINC
PDB chain8vzv Chain DDD Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB8vzv Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase.
Resolution2.29 Å
Binding residue
(original residue number in PDB)
Y42 Y45
Binding residue
(residue number reindexed from 1)
Y4 Y7
Annotation score1
External links
PDB RCSB:8vzv, PDBe:8vzv, PDBj:8vzv
PDBsum8vzv
PubMed39106326
UniProtP48775|T23O_HUMAN Tryptophan 2,3-dioxygenase (Gene Name=TDO2)

[Back to BioLiP]