Structure of PDB 6wxf Chain e Binding Site BS01

Receptor Information
>6wxf Chain e (length=260) Species: 444185 (Simian rotavirus A strain RRV) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INLPITGSMDTAYANSTQEETFLTSTLCLYYPTEAATEINDNSWKDTLSQ
LFLTKGWPTGSVYFKEYTDIASFSVDPQLYCDYNVVLMKYDATLQLDMSE
LADLILNEWLCNPMDITLYYYQQTDEANKWISMGSSCTIKVCPLNTQTLG
IGCLTTDTATFEEVATAEKLVITDVVDGVNHKLDVTTATCTIRNCKKLGP
RENVAVIQVGGSDVLDITADPTTAPQTERMMRINWKKWWQVFYTVVDYVN
QIIQAMSKRS
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 chain6wxf Chain e Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wxf Functional refolding of the penetration protein on a non-enveloped virus.
Resolution4.3 Å
Binding residue
(original residue number in PDB)		D151 E154 E222 L224
Binding residue
(residue number reindexed from 1)		D97 E100 E168 L170
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6wxf, PDBe:6wxf, PDBj:6wxf
PDBsum6wxf
PubMed33442061
UniProtP12476|VP7_ROTRH Outer capsid glycoprotein VP7

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