Structure of PDB 7p8f Chain A Binding Site BS01

Receptor Information
>7p8f Chain A (length=163) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSKLKYVLQDARFFLIKSNNHENVSLAKAKGVWSTLPVNEKKLNLAFRSA
RSVILIFSVRESGKFQGFARLSSESHHGGSPIHWVLPAGMSAKMLGGVFK
IDWICRRELPFTKSAHLTNPWNEHKPVKIGRDGQEIELECGTQLCLLFPP
DESIDLYQVIHKM
Ligand information
Ligand ID5ZK
InChIInChI=1S/C7H9N5/c1-4-5-6(12-11-4)7(8-2)10-3-9-5/h3H,1-2H3,(H,11,12)(H,8,9,10)
InChIKeySUUWWTXOJILAMU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c2c(c(ncn2)NC)[nH]n1
CACTVS 3.385CNc1ncnc2c(C)n[nH]c12
FormulaC7 H9 N5
Name~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
ChEMBLCHEMBL5177286
DrugBank
ZINCZINC000041527945
PDB chain7p8f Chain A 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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PDB7p8f Structure-based design of ligands of the m6A-RNA reader YTHDC1
Resolution1.5 Å
Binding residue
(original residue number in PDB)		K361 S362 N363 N367 W377 S378 W428 P431 D476
Binding residue
(residue number reindexed from 1)		K17 S18 N19 N23 W33 S34 W84 P87 D132
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:7p8f, PDBe:7p8f, PDBj:7p8f
PDBsum7p8f
PubMed
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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