Structure of PDB 7ums Chain l Binding Site BS01

Receptor Information
>7ums Chain l (length=276) Species: 10912 (Rotavirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNYGLNIPITGSMDTVYSNSTREEVFLTSTLCLYYPTEASTQISDGEWKD
SLSQMFLIKGWPTGSVYFKEYSNIVDFSVDPQLYCDYNLVLMKYDQSLEL
DMSELADLILNEWLCNPMDITLYYYQQSGESNKWISMGSSCTVKVCPLNT
QTLGIGCQTTNVDSFETVAENEKLAIVDVVDGINHKINLTTTTCTIRNCK
KLGPRENVAVIQVGGANILDITADPTTNPQIERMMRVNWKRWWQVFYTIV
DYINQIVQVMSKRSRSLNSAAFYYRV
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 chain7ums Chain l Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ums Rotavirus VP4 Epitope of a Broadly Neutralizing Human Antibody Defined by Its Structure Bound with an Attenuated-Strain Virion.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		Q177 D228 V229 D231
Binding residue
(residue number reindexed from 1)		Q127 D178 V179 D181
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:7ums, PDBe:7ums, PDBj:7ums
PDBsum7ums
PubMed35924923
UniProtB1NP55

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