Structure of PDB 6t03 Chain A Binding Site BS01

Receptor Information
>6t03 Chain A (length=161) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTSKLKYVLQDARFFLIKSNNHENVSLAKAKGVWSTLPVNEKKLNLAFRS
ARSVILIFSVRESGKFQGFARLSSESHHGGSPIHWVLPSAKMLGGVFKID
WICRRELPFTKSAHLTNPWNEHKPVKIGRDGQEIELECGTQLCLLFPPDE
SIDLYQVIHKM
Ligand information
Ligand IDMZY
InChIInChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
InChIKeyOXFSTTJBVAAALW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.5C1=CNC(=S)N1
CACTVS 3.385S=C1NC=CN1
FormulaC3 H4 N2 S
Name1,3-dihydroimidazole-2-thione;
2-Mercaptoimidazole
ChEMBLCHEMBL3260774
DrugBank
ZINCZINC000004529297
PDB chain6t03 Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6t03 Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		W377 S378 W428
Binding residue
(residue number reindexed from 1)		W34 S35 W85
Annotation score1
Binding affinityMOAD: ic50>1000uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6t03, PDBe:6t03, PDBj:6t03
PDBsum6t03
PubMed32101404
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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