Structure of PDB 5ej0 Chain A Binding Site BS02

Receptor Information
>5ej0 Chain A (length=212) Species: 10254 (Vaccinia virus WR) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKTPVIVVPVIDRLPSETFPNVHEHINDQKFKDYAFIQWTGGNIRNDDKY
THFFSGFCNTMCTEETKRNIARHLALWDSNFFTELENKKVEYVVIVENDN
VIEDITFLRPVLKAMHDKKIDILQMREIITGNKVKTELVMDKNHAIFTYT
GGYDVSLSAYIIRVTTALNIVDEIIKSGGLSSGFYFEIARIENEMKINRQ
ILDNAAKYVEHD
Ligand information
Ligand IDPDO
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CO)CO
ACDLabs 11.02
CACTVS 3.352		OCCCO
FormulaC3 H8 O2
Name1,3-PROPANDIOL
ChEMBLCHEMBL379652
DrugBankDB02774
ZINCZINC000001529437
PDB chain5ej0 Chain A Residue 709 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ej0 The Vaccinia Virus H3 Envelope Protein, a Major Target of Neutralizing Antibodies, Exhibits a Glycosyltransferase Fold and Binds UDP-Glucose.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N221 E222 K224
Binding residue
(residue number reindexed from 1)		N193 E194 K196
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:5ej0, PDBe:5ej0, PDBj:5ej0
PDBsum5ej0
PubMed26937025
UniProtP07240|PG108_VACCW Envelope protein OPG108 (Gene Name=OPG108)

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