Structure of PDB 7ums Chain q Binding Site BS02

Receptor Information
>7ums Chain q (length=271) Species: 10912 (Rotavirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NIPITGSMDTVYSNSTREEVFLTSTLCLYYPTEASTQISDGEWKDSLSQM
FLIKGWPTGSVYFKEYSNIVDFSVDPQLYCDYNLVLMKYDQSLELDMSEL
ADLILNEWLCNPMDITLYYYQQSGESNKWISMGSSCTVKVCPLNTQTLGI
GCQTTNVDSFETVAENEKLAIVDVVDGINHKINLTTTTCTIRNCKKLGPR
ENVAVIQVGGANILDITADPTTNPQIERMMRVNWKRWWQVFYTIVDYINQ
IVQVMSKRSRSLNSAAFYYRV
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 q Residue 404 [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)		D270 T272 D274 T277 N278
Binding residue
(residue number reindexed from 1)		D215 T217 D219 T222 N223
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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