Structure of PDB 3vmt Chain A Binding Site BS02

Receptor Information
>3vmt Chain A (length=222) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RILLKILLTILIIIALFIGIMYFLSTRDNVDELRKIENKSSFVSADNMPE
YVKGAFISMEDERFYNHHGFDLKGTTRALFSTGGSTITQQVVKNYFYDND
RSFTRKVKELFVAHRVEKQYNKNEILSFYLNNIYFGDNQYTLEGAANHYF
GTTVNKNSTTMSHITVLQSAILASKVNAPSVYNINNMSENFTQRVSTNLE
KMKQQNYINETQYQQAMSQLNR
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 chain3vmt Chain A Residue 302 [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]
PDB3vmt Crystal structure of Staphylococcus aureus transglycosylase in complex with a lipid II analog and elucidation of peptidoglycan synthesis mechanism
Resolution2.299 Å
Binding residue
(original residue number in PDB)		S98 E102 K248
Binding residue
(residue number reindexed from 1)		S58 E62 K201
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E100 G131 S132 Q136
Catalytic site (residue number reindexed from 1) E60 G84 S85 Q89
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3vmt, PDBe:3vmt, PDBj:3vmt
PDBsum3vmt
PubMed22493270
UniProtQ99T05|MGT_STAAM Monofunctional glycosyltransferase (Gene Name=mgt)

[Back to BioLiP]