Structure of PDB 6wxe Chain q Binding Site BS01

Receptor Information
>6wxe Chain q (length=259) Species: 444185 (Simian rotavirus A strain RRV) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPITGSMDTAYANSTQEETFLTSTLCLYYPTEAATEINDNSWKDTLSQLF
LTKGWPTGSVYFKEYTDIASFSVDPQLYCDYNVVLMKYDATLQLDMSELA
DLILNEWLCNPMDITLYYYQQTDEANKWISMGSSCTIKVCPLNTQTLGIG
CLTTDTATFEEVATAEKLVITDVVDGVNHKLDVTTATCTIRNCKKLGPRE
NVAVIQVGGSDVLDITADPTTAPQTERMMRINWKKWWQVFYTVVDYVNQI
IQAMSKRSR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6wxe Chain q Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wxe Functional refolding of the penetration protein on a non-enveloped virus.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		D151 E154 E222 L224
Binding residue
(residue number reindexed from 1)		D95 E98 E166 L168
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6wxe, PDBe:6wxe, PDBj:6wxe
PDBsum6wxe
PubMed33442061
UniProtP12476|VP7_ROTRH Outer capsid glycoprotein VP7

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