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Structure of a glycosyltransferase / state 2

Analyse Structure of a glycosyltransferase / state 2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EJJ
Type
protein
Length
720 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Wlac protein
UniProt
O86151
Ligands
UDP, BUE, A2G, NDG, NA, CL
Pockets
7 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BWlac proteinprotein36045% helix, 18% strandO86151

Ligands and binding sites

  • UDP · Uridine-5'-diphosphate · ligand · 2 copies · chains A, B
  • BUE · NerylNeryl pyrophosphate · ligand · 2 copies · chains A, B
  • A2G · 2-acetamido-2-deoxy-alpha-D-galactopyranose · sugar · 4 copies · chains A, B
  • NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · 2 copies · chains A, B
  • NA · Sodium ion · metal · 4 copies · chains A, B
  • CL · Chloride ion · ion · chains A

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15560.750.8266A2G, UDP, NA, CL
25110.740.8263A2G, UDP, NA
32130.570.7935empty
42870.520.7544empty
51060.400.7514empty

Interfaces

1 interface between chains.

  • A–B · 709 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 6EJJ · Structure of a glycosyltransferase / state 2 · the same entry in another collection · chain A against A, TM-score 1.00

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