Structure of PDB 6szl Chain B Binding Site BS01

Receptor Information
>6szl 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 IDM3E
InChIInChI=1S/C10H8N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChIKeyNCSMAVULYUCSMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=CC(=O)NC(=O)N2
CACTVS 3.385O=C1NC(=O)C=C(N1)c2ccccc2
FormulaC10 H8 N2 O2
Name6-phenyl-1~{H}-pyrimidine-2,4-dione
ChEMBLCHEMBL3288032
DrugBank
ZINCZINC000000083106
PDB chain6szl Chain B 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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PDB6szl Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		K361 W377 S378 T379 R404 W428 L439 D476
Binding residue
(residue number reindexed from 1)		K18 W34 S35 T36 R61 W85 L96 D133
Annotation score1
Binding affinityMOAD: ic50>1000uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6szl, PDBe:6szl, PDBj:6szl
PDBsum6szl
PubMed32101404
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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