Structure of PDB 7qb5 Chain 111 Binding Site BS03

Receptor Information
>7qb5 Chain 111 (length=281) Species: 12089 (Coxsackievirus A24) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTAQSTPLTSGVNSQEVPALTAVETGASGQAVPSDVIETRHVVNYKTRSE
STLESFFGRSACVTILEVENFNATTDADRKKQFTTWAITYTDTVQLRRKL
EFFTYSRFDLEMTFVITERYYASNTGHARNQVYQLMYIPPGAPRPTAWDD
YTWQSSSNPSVFYTYGSAPPRMSIPYVGIANAYSHFYDGFARVPLKDETV
DSGDTYYGLVTINDFGTLAVRVVNEYNPARITSKIRVYMKPKHVRCWCPR
PPRAVPYRGEGVDFKQDSITPLTAVENINTF
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 chain7qb5 Chain 111 Residue 904 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qb5 Exploring divalent conjugates of 5- N -acetyl-neuraminic acid as inhibitors of coxsackievirus A24 variant (CVA24v) transduction.
Resolution1.728 Å
Binding residue
(original residue number in PDB)		T613 S614 S638 I641
Binding residue
(residue number reindexed from 1)		T9 S10 S34 I37
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.28: picornain 3C.
3.4.22.29: picornain 2A.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0005198 structural molecule activity

View graph for
Molecular Function
External links
PDB RCSB:7qb5, PDBe:7qb5, PDBj:7qb5
PDBsum7qb5
PubMed35425270
UniProtV9VEF3

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