Structure of PDB 7b6a Chain EEE Binding Site BS03

Receptor Information
>7b6a Chain EEE (length=266) Species: 1891762 (Betapolyomavirus hominis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEVLEVKTGVDAITEVECFLNPEMGDPDENLRGFSLKLSAENDFSSDSPE
RKMLPCYSTARIPLPNLNEDLTCGNLLMWEAVTVQTEVIGITSMLNLHAG
SQKVHEHGGGKPIQGSNFHFFAVGGEPLEMQGVLMNYRSKYPDGTITPKN
PTAQSQVMNTDHKAYLDKNNAYPVECWVPDPSRNENARYFGTFTGGENVP
PVLHVTNTATTVLLDEQGVGPLCKADSLYVSAADICGLFTNSSGTQQWRG
LARYFKIRLRKRSVKN
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 chain7b6a Chain EEE Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7b6a Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors.
Resolution1.44 Å
Binding residue
(original residue number in PDB)		G156 E157 K255 S258 Y260
Binding residue
(residue number reindexed from 1)		G125 E126 K224 S227 Y229
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005198 structural molecule activity
Cellular Component
GO:0019028 viral capsid

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Molecular Function
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Cellular Component
External links
PDB RCSB:7b6a, PDBe:7b6a, PDBj:7b6a
PDBsum7b6a
PubMed35974998
UniProtP03088|VP1_POVBK Major capsid protein VP1

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