Structure of PDB 7b6a Chain AAA Binding Site BS02

Receptor Information
>7b6a Chain AAA (length=265) Species: 1891762 (Betapolyomavirus hominis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEVLEVKTGVDAITEVECFLNPEMGDPDENLRGFSLKLSAENDFSSDSPE
RKMLPCYSTARIPLPNLNDLTCGNLLMWEAVTVQTEVIGITSMLNLHAGS
QKVHEHGGGKPIQGSNFHFFAVGGEPLEMQGVLMNYRSKYPDGTITPKNP
TAQSQVMNTDHKAYLDKNNAYPVECWVPDPSRNENARYFGTFTGGENVPP
VLHVTNTATTVLLDEQGVGPLCKADSLYVSAADICGLFTNSSGTQQWRGL
ARYFKIRLRKRSVKN
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 AAA Residue 302 [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)		E48 K287
Binding residue
(residue number reindexed from 1)		E17 K255
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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