Structure of PDB 8bp8 Chain F Binding Site BS01

Receptor Information
>8bp8 Chain F (length=267) Species: 28875 (Rotavirus A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNYGINLPITGSMDIAYATSTLCLYYPTEAATEINDNSWKDTLSQLFLTK
GWPTGSVYFKEYTNIASFSVDPQLYCDYNVVLMKYDATLQLDMSELADLI
LNEWLCNPMDITLYYYQQTDEANKWISMGSSCTIKVCPLNTQTLGIGCLT
TDATTFEEVATAEKLVITDVVDGVNHKLDVTTATCTIRNCKKLGPRENVA
VIQVGGSDILDITADPTTAPQTERMMRINWKKWWQVFYTVVDYVDQIIQV
MSKRSRSLNSAAFYYRV
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 chain8bp8 Chain F Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bp8 Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D151 E154 E222 L224
Binding residue
(residue number reindexed from 1)		D92 E95 E163 L165
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0016020 membrane
GO:0019028 viral capsid
GO:0039621 T=13 icosahedral viral capsid
GO:0039624 viral outer capsid
GO:0044165 host cell endoplasmic reticulum
GO:0044166 host cell endoplasmic reticulum lumen

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Molecular Function
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Cellular Component
External links
PDB RCSB:8bp8, PDBe:8bp8, PDBj:8bp8
PDBsum8bp8
PubMed36996819
UniProtA0A1Q2TSM6

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