Structure of PDB 8x7o Chain E Binding Site BS01

Receptor Information
>8x7o Chain E (length=55) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGF
VKKDQ
Ligand information
Ligand IDIZV
InChIInChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3
InChIKeyZQAQXZBSGZUUNL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNc1ccc(cc1)c2nc3ccc(cc3s2)O
CACTVS 3.385CNc1ccc(cc1)c2sc3cc(O)ccc3n2
FormulaC14 H12 N2 O S
Name2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
ChEMBLCHEMBL93124
DrugBank
ZINCZINC000003816332
PDB chain8x7o Chain A Residue 202 [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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PDB8x7o Binding adaptability of chemical ligands to polymorphic alpha-synuclein amyloid fibrils.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		I88 K96
Binding residue
(residue number reindexed from 1)		I44 K52
Annotation score1
External links
PDB RCSB:8x7o, PDBe:8x7o, PDBj:8x7o
PDBsum8x7o
PubMed39172784
UniProtP37840|SYUA_HUMAN Alpha-synuclein (Gene Name=SNCA)

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