Structure of PDB 6sz1 Chain B Binding Site BS01

Receptor Information
>6sz1 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 IDM0W
InChIInChI=1S/C9H9N3/c1-10-9-7-4-2-3-5-8(7)11-6-12-9/h2-6H,1H3,(H,10,11,12)
InChIKeyALMFHIAFDWANJI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNc1c2ccccc2ncn1
CACTVS 3.385CNc1ncnc2ccccc12
FormulaC9 H9 N3
Name~{N}-methylquinazolin-4-amine
ChEMBL
DrugBank
ZINCZINC000001699233
PDB chain6sz1 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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PDB6sz1 Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		K361 S362 N363 N367 W377 S378 W428 P431 M434 D476
Binding residue
(residue number reindexed from 1)		K18 S19 N20 N24 W34 S35 W85 P88 M91 D133
Annotation score1
Binding affinityMOAD: ic50>1000uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6sz1, PDBe:6sz1, PDBj:6sz1
PDBsum6sz1
PubMed32101404
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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