Structure of PDB 7b6c Chain EEE Binding Site BS01
Receptor Information
>7b6c Chain EEE (length=279) Species:
1891762
(Betapolyomavirus hominis) [
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RVDGQPMYGMESQVEEVRVFDTGVDAITEVECFLNPEMGDPDENLRGFSL
KLSAENDFSSDSPERKMLPCYSTARIPLPNLNEDLTCGNLLMWEAVTVQT
EVIGITSMLNLHAGSQKVHEHGGGKPIQGSNFHFFAVGGEPLEMQGVLMN
YRSKYPDGTITPKNPTAQSQVMNTDHKAYLDKNNAYPVECWVPDPSRNEN
ARYFGTFTGGENVPPVLHVTNTATTVLLDEQGVGPLCKADSLYVSAADIC
GLFTNSSGTQQWRGLARYFKIRLRKRSVK
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
7b6c Chain DDD Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
7b6c
Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors.
Resolution
2.484 Å
Binding residue
(original residue number in PDB)
S213 E216
Binding residue
(residue number reindexed from 1)
S196 E199
Annotation score
4
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:7b6c
,
PDBe:7b6c
,
PDBj:7b6c
PDBsum
7b6c
PubMed
35974998
UniProt
P03088
|VP1_POVBK Major capsid protein VP1
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