Structure of PDB 5xnd Chain A Binding Site BS01

Receptor Information
>5xnd Chain A (length=110) Species: 13676 (Scomber japonicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMAFASVLKDAEVTAALDGCKAAGSFDHKKFFKACGLSGKSTDEVKKAFA
IIDQDKSGFIEEEELKLFLQNFKAGARALSDAETKAFLKAGDSDGDGKIG
IDEFAAMIKG
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 chain5xnd Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xnd Solution structure of the major fish allergen parvalbumin Sco j 1 derived from the Pacific mackerel
ResolutionN/A
Binding residue
(original residue number in PDB)		D52 D54 S56 F58 E63
Binding residue
(residue number reindexed from 1)		D53 D55 S57 F59 E64
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:5xnd, PDBe:5xnd, PDBj:5xnd
PDBsum5xnd
PubMed29215073
UniProtP59747|PRVB_SCOJP Parvalbumin beta

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