Structure of PDB 5dzq Chain A Binding Site BS01

Receptor Information
>5dzq Chain A (length=176) Species: 392917 (Paenibacillus larvae subsp. larvae BRL-230010) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWEKKLRANEKELVKEYTANAKPFNTYLRANEGKLGFKPEIDKKILKLDE
ALKKSKLSETVQVYRGDDTSIFGKEFQNSIYQGNKVNRELFRKLRDEYQG
KIRTEYGYLSTSIVSNQQFAMRPVLTTLKVPKGAHAGYVDQYELLLPRNT
KYKIDKMYIIVNKGSETIKIEATVQP
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 chain5dzq 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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PDB5dzq Structural variability of C3larvin toxin. Intrinsic dynamics of the alpha / beta fold of the C3-like group of mono-ADP-ribosyltransferase toxins.
Resolution1.892 Å
Binding residue
(original residue number in PDB)		G179 S180
Binding residue
(residue number reindexed from 1)		G164 S165
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S118 E158
Catalytic site (residue number reindexed from 1) S110 E143
Enzyme Commision number 2.4.2.30: NAD(+) ADP-ribosyltransferase.
Gene Ontology
Cellular Component
GO:0005576 extracellular region

View graph for
Cellular Component
External links
PDB RCSB:5dzq, PDBe:5dzq, PDBj:5dzq
PDBsum5dzq
PubMed26610041
UniProtW2E3J5

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