Structure of PDB 5yzc Chain B Binding Site BS01

Receptor Information
>5yzc Chain B (length=367) Species: 645098 (Measles virus strain Ichinose-B95a) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVVLAGAALGVATAAQITAGIALHQSMLNSQAIDNLRASLETTNQAIEAI
RQAGQEMILAVQGVQDYINNELIPSMNQLSCDLIGQKLGLKLLRYYTEIL
SLFGPSLRDPISAEISIQALSYALGGDINKVLEKLGYSGGDLLGILESRG
IKARITHVDTESYFIVLSIAYPTLSEIKGVIVHRLEGVSYNIGSQEWYTT
VPKYVATQGYLISNFDESSCTFMPEGTVCSQNALYPMSPLLQECLRGSTK
SCARTLVSGSFGNRFILSQGNLIANCASILCKCYTTGTIINQDPDKILTY
IAADHCPVVEVNGVTIQVGSRRYPDAVYLHRIDLGPPISLERLDVGTNLG
NAIAKLEDAKELLESSD
Ligand information
Ligand ID95C
InChIInChI=1S/C15H13N3O4/c16-15(20)12-7-6-11(18(21)22)9-13(12)17-14(19)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,20)(H,17,19)
InChIKeyYCAFMCMKNHYQFE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(=O)c1ccc(cc1NC(=O)Cc2ccccc2)[N+]([O-])=O
OpenEye OEToolkits 2.0.6c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-]
ACDLabs 12.01c1(C(=O)N)ccc(cc1NC(Cc2ccccc2)=O)[N+]([O-])=O
FormulaC15 H13 N3 O4
Name4-nitro-2-[(phenylacetyl)amino]benzamide
ChEMBLCHEMBL424701
DrugBank
ZINCZINC000040812324
PDB chain5yzc 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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PDB5yzc Structures of the prefusion form of measles virus fusion protein in complex with inhibitors.
Resolution2.334 Å
Binding residue
(original residue number in PDB)		T369 L370 P451 I452 S453 N462
Binding residue
(residue number reindexed from 1)		T255 L256 P337 I338 S339 N348
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.52,IC50=3.0uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0019064 fusion of virus membrane with host plasma membrane

View graph for
Biological Process
External links
PDB RCSB:5yzc, PDBe:5yzc, PDBj:5yzc
PDBsum5yzc
PubMed29463726
UniProtQ786F3|FUS_MEASC Fusion glycoprotein F0 (Gene Name=F)

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