Structure of PDB 5xr3 Chain E Binding Site BS01

Receptor Information
>5xr3 Chain E (length=285) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSKQPTPDKAEDNAFFPSPYSLSQYTAPKTDFDGVEHKGAYKDGKWKVLM
IAAEERYVLLENGKMFSTGNHPVEMLLPLHHLMEAGFDVDVATLSGYPVK
LELWAMPTEDEAVISTYNKLKEKLKQPKKLADVIKNELGPDSDYLSVFIP
GGHAAVVGISESEDVQQTLDWALDNDRFIVTLCHGPAALLSAGLNREKSP
LEGYSVCVFPDSLDEGANIEIGYLPGRLKWLVADLLTKQGLKVVNDDMTG
RTLKDRKLLTGDSPLASNELGKLAVNEMLNAIQNK
Ligand information
Ligand IDGLV
InChIInChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
InChIKeyHHLFWLYXYJOTON-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)C(=O)O
ACDLabs 10.04O=CC(=O)O
CACTVS 3.341OC(=O)C=O
FormulaC2 H2 O3
NameGLYOXYLIC ACID;
GLYOXALATE;
GLYOXYLATE
ChEMBLCHEMBL1162545
DrugBankDB04343
ZINCZINC000004658554
PDB chain5xr3 Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5xr3 Structural and functional studies of SAV0551 fromStaphylococcus aureusas a chaperone and glyoxalase III.
Resolution3.01 Å
Binding residue
(original residue number in PDB)		D177 D181
Binding residue
(residue number reindexed from 1)		D170 D174
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.2.-
3.5.1.-
3.5.1.124: protein deglycase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016790 thiolester hydrolase activity
GO:0019172 glyoxalase III activity
GO:0036524 protein deglycase activity
Biological Process
GO:0006281 DNA repair
GO:0019243 methylglyoxal catabolic process to D-lactate via S-lactoyl-glutathione
GO:0019249 lactate biosynthetic process
GO:0030091 protein repair
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5xr3, PDBe:5xr3, PDBj:5xr3
PDBsum5xr3
PubMed29046369
UniProtP64312|HCHA_STAAM Protein/nucleic acid deglycase HchA (Gene Name=hchA)

[Back to BioLiP]