Structure of PDB 5bpj Chain A Binding Site BS01

Receptor Information
>5bpj Chain A (length=180) Species: 320166 (Beroe abyssicola) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLNEQNNESYRYLRSVGNQWQFNRLYKRFDTFDLDSDGKMEMDEVLYWPD
RMRQLVNATDEQVEKMRDAVRVFFLHKGVEPVNGLLREDWVEANRVFAEA
ERERERRGEPSLIALLSNSYYDVLDDDGDGTVDVDELKTMMKAFDPQEAA
YTFFEKADTDKSGKLERTELVHLFRKFWME
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 chain5bpj Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5bpj All Ca(2+)-binding loops of light-sensitive ctenophore photoprotein berovin bind magnesium ions: The spatial structure of Mg(2+)-loaded apo-berovin.
Resolution1.756 Å
Binding residue
(original residue number in PDB)		D46 D48 D50 K52 E57
Binding residue
(residue number reindexed from 1)		D33 D35 D37 K39 E44
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) L38 N107 M153 F188
Catalytic site (residue number reindexed from 1) L25 N94 M140 F174
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5bpj, PDBe:5bpj, PDBj:5bpj
PDBsum5bpj
PubMed26690016
UniProtH8ZZK1

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