Structure of PDB 7p8b Chain B Binding Site BS01

Receptor Information
>7p8b Chain B (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTSKLKYVLQDARFFLIKSNNHENVSLAKAKGVWSTLPVNEKKLNLAFRS
ARSVILIFSVRESGKFQGFARLSSESHHGGSPIHWVLPAGMSAKMLGGVF
KIDWICRRELPFTKSAHLTNPWNEHKPVKIGRDGQEIELECGTQLCLLFP
PDESIDLYQVIHKM
Ligand information
Ligand IDOYT
InChIInChI=1S/C9H11N5/c1-10-8-7-9(12-4-11-8)14(5-13-7)6-2-3-6/h4-6H,2-3H2,1H3,(H,10,11,12)
InChIKeyGSKXLJNKAAXSOE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNc1ncnc2n(cnc12)C3CC3
OpenEye OEToolkits 2.0.7CNc1c2c(ncn1)n(cn2)C3CC3
FormulaC9 H11 N5
Name9-cyclopropyl-~{N}-methyl-purin-6-amine
ChEMBLCHEMBL5170722
DrugBank
ZINC
PDB chain7p8b Chain B Residue 601 [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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PDB7p8b Structure-based design of ligands of the m6A-RNA reader YTHDC1
Resolution1.2 Å
Binding residue
(original residue number in PDB)		N363 N367 W377 S378 W428 D476
Binding residue
(residue number reindexed from 1)		N20 N24 W34 S35 W85 D133
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:7p8b, PDBe:7p8b, PDBj:7p8b
PDBsum7p8b
PubMed
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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