Structure of PDB 8uk3 Chain q Binding Site BS02

Receptor Information
>8uk3 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 chain8uk3 Chain q Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8uk3 The rotavirus VP5*/VP8* conformational transition permeabilizes membranes to Ca2+
Resolution8.0 Å
Binding residue
(original residue number in PDB)		Q177 D228 D231
Binding residue
(residue number reindexed from 1)		Q121 D172 D175
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:8uk3, PDBe:8uk3, PDBj:8uk3
PDBsum8uk3
PubMed38574119
UniProtP12476|VP7_ROTRH Outer capsid glycoprotein VP7

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