Structure of PDB 3vmq Chain A Binding Site BS01

Receptor Information

>3vmq Chain A (length=223) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50)

RILLKILLTILIIIALFIGIMYFLSTRDNVDELRKIENKSSFVSADNMPE
YVKGAFISMEDERFYNHHGFDLKGTTRALFSTQGGSTITQQVVKNYFYDN
DRSFTRKVKELFVAHRVEKQYNKNEILSFYLNNIYFGDNQYTLEGAANHY
FGTTVNKNSTTMSHITVLQSAILASKVNAPSVYNINNMSENFTQRVSTNL
EKMKQQNYINETQYQQAMSQLNR

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3vmq Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vmq Crystal structure of Staphylococcus aureus transglycosylase in complex with a lipid II analog and elucidation of peptidoglycan synthesis mechanism
• Resolution: 2.518 Å
• Binding residue (original residue number in PDB): T115 G131 Q136
• Binding residue (residue number reindexed from 1): T75 G85 Q90
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.99.28: peptidoglycan glycosyltransferase.

Gene Ontology

Molecular Function

• GO:0008658 penicillin binding
• GO:0008955 peptidoglycan glycosyltransferase activity
• GO:0016757 glycosyltransferase activity

Biological Process

• GO:0008360 regulation of cell shape
• GO:0009252 peptidoglycan biosynthetic process
• GO:0046677 response to antibiotic
• GO:0071555 cell wall organization

Cellular Component

• GO:0005886 plasma membrane

External links

• PDB: RCSB:3vmq, PDBe:3vmq, PDBj:3vmq
• PDBsum: 3vmq
• PubMed: 22493270
• UniProt: Q99T05|MGT_STAAM Monofunctional glycosyltransferase (Gene Name=mgt)