Structure of PDB 4qyk Chain J Binding Site BS01

Receptor Information
>4qyk Chain J (length=548) Species: 10786 (Feline panleukopenia virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVGISTGTFNNQTEFKFLENGWVYITANSSRLVHLNMPESENYRRVVVNN
LDKTAVNGNMALDDTHAEIVTPWSLVDANAWGVWFNPGDWQLIVNTMSEL
HLVSFEQEIFNVVLKTVSESATQPPTKVYNNDLTASLMVALDSNNTMPFT
PAAMRSETLGFYPWKPTIPTPWRYYFQWDRTLIPSHTGTSGTPTNIYHGT
DPDDVQFYTIENSVPVHLLRTGDEFATGTFFFDCKPCRLTHTWQTNRALG
LPPFLNSLPQSEGGTNFGYIGVQQDKRRGVTQMGNTNYITEATIMRPAEV
GYSAPYYSFEASTQGPFKTPIAAGRGGAQTDENQAADGDPRYAFGRQHGQ
KTTTTGETPERFTYIAHQDTGRYPEGDWIQNINFNLPVTDDNVLLPTDPI
GGKTGINYTNIFNTYGPLTALNNVPPVYPNGQIWDKEFDTDLKPRLHVNA
PFVCQNNCPGQLFVKVAPNLTNQYDPDASANMSRIVTYSDFWWKGKLVFK
AKLRASHTWNPIQQMSINVDNQFNYVPSNIGGMKIVYEKSQLAPRKLY
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4qyk Chain J Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qyk Global Displacement of Canine Parvovirus by a Host-Adapted Variant: Structural Comparison between Pandemic Viruses with Distinct Host Ranges.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		D237 D240
Binding residue
(residue number reindexed from 1)		D201 D204
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:4qyk, PDBe:4qyk, PDBj:4qyk
PDBsum4qyk
PubMed25410876
UniProtP90456

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