Structure of PDB 8fym Chain I Binding Site BS02
Receptor Information
>8fym Chain I (length=126) Species:
10090
(Mus musculus) [
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QVQLQQSGTDLVRPGTSVKVSCKASGYAFTTYFIEWVKQRPGQGLEWIGV
INPGSGIPNYNEMFKGKATLTADKSSSTAYLHLSSLTSDDSAVYFCARAP
YYYGSSYYYFDVWGAGTTVTVSSAST
Ligand information
Ligand ID
1HC
InChI
InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
InChIKey
HRPVXLWXLXDGHG-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
C=CC(=O)N
ACDLabs 12.01
O=C(\C=C)N
CACTVS 3.370
NC(=O)C=C
Formula
C3 H5 N O
Name
prop-2-enamide
ChEMBL
CHEMBL348107
DrugBank
ZINC
ZINC000000901075
PDB chain
8fym Chain I Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
8fym
Crystal structure of Fab235 in complex with MPER peptide
Resolution
2.45 Å
Binding residue
(original residue number in PDB)
K38 E46
Binding residue
(residue number reindexed from 1)
K38 E46
Annotation score
1
External links
PDB
RCSB:8fym
,
PDBe:8fym
,
PDBj:8fym
PDBsum
8fym
PubMed
37940661
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