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MolNFT v1 · #82426 · protein

Crystal structure of staphylococcus aureus membrane-bound transglycosylase in complex with moenomycin

3VMR · Monofunctional glycosyltransferase: “Crystal structure of staphylococcus aureus membrane-bound transglycosylase in complex with moenomycin”. X-ray diffraction, 1 ligand (M0E), 3 pockets (best druggability 0.56). MolNFT v1 #82426 on…

PDB
3VMR
Type
protein
Length
227 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Monofunctional glycosyltransferase
EC
2.4.-.-
UniProt
Q99T05
Ligands
M0E
Pockets
3 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMonofunctional glycosyltransferase (EC 2.4.-.-)protein22752% helix, 1% strandQ99T05

Ligands and binding sites

  • M0E · Moenomycin · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13230.560.7641M0E
21530.560.8128empty
3760.300.7321empty

Compared structures

  • 3VMR · Crystal structure of Staphylococcus aureus membrane-bound transglycosylase in complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q99T05 · AlphaFold monomer V2.0 prediction for monofunctional glycosyltransferase (Q99T05) · a predicted model of the same protein · chain A against A, TM-score 0.94

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