Structure of PDB 4tsh Chain A Binding Site BS01

Receptor Information
>4tsh Chain A (length=121) Species: 1309 (Streptococcus mutans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VGTQTGNPATNLPEAQGSASKEAEQSQNQAGETNGSIPVEVPKTDLDQAA
KDAKSAGVNVVQDADVNKGTVKTAEEAVQKETEIKEDYTKQAEDIKKTTD
QYKSDVAAHEAEVAKIKAKNQ
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 chain4tsh Chain B Residue 1504 [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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PDB4tsh An intramolecular lock facilitates folding and stabilizes the tertiary structure of Streptococcus mutans adhesin P1.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A60 N62
Binding residue
(residue number reindexed from 1)		A9 N11
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4tsh, PDBe:4tsh, PDBj:4tsh
PDBsum4tsh
PubMed25331888
UniProtC9E3B4

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