Structure of PDB 4hqs Chain A Binding Site BS04

Receptor Information
>4hqs Chain A (length=135) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADFELMGVDGKTYRLSDYKGKKVYLKFWASWCSICLASLPDTDEIAKEAG
DDYVVLTVVSPGHKGEQSEADFKNWYKGLDYKNLPVLVDPSGKLLETYGV
RSYPTQAFIDKEGKLVKTHPGFMEKDAILQTLKEL
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 chain4hqs Chain A Residue 210 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hqs Molecular architecture of Streptococcus pneumoniae surface thioredoxin-fold lipoproteins crucial for extracellular oxidative stress resistance and maintenance of virulence.
Resolution1.48 Å
Binding residue
(original residue number in PDB)		S112 H115 Y155
Binding residue
(residue number reindexed from 1)		S60 H63 Y103
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:4hqs, PDBe:4hqs, PDBj:4hqs
PDBsum4hqs
PubMed24136784
UniProtA0A0H2UP26

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