Structure of PDB 6syz Chain B Binding Site BS01

Receptor Information
>6syz 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 IDM1E
InChIInChI=1S/C7H7N3S/c1-8-7-6-5(2-3-11-6)9-4-10-7/h2-4H,1H3,(H,8,9,10)
InChIKeyAZPMALJVBUIZFS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNc1ncnc2ccsc12
OpenEye OEToolkits 2.0.7CNc1c2c(ccs2)ncn1
FormulaC7 H7 N3 S
Name~{N}-methylthieno[3,2-d]pyrimidin-4-amine
ChEMBL
DrugBank
ZINCZINC000037375056
PDB chain6syz 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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PDB6syz Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		S362 N363 N367 W377 S378 W428 P431 M434 L439
Binding residue
(residue number reindexed from 1)		S19 N20 N24 W34 S35 W85 P88 M91 L96
Annotation score1
Binding affinityMOAD: ic50>1000uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6syz, PDBe:6syz, PDBj:6syz
PDBsum6syz
PubMed32101404
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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