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MolNFT v1 · #123248 · protein

Crystal structure of burkholderia glumae toxa

5JE6 · Methyl transferase: “Crystal structure of burkholderia glumae toxa”. X-ray diffraction, 4 pockets (best druggability 0.71). MolNFT v1 #123248 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5JE6
Type
protein
Length
468 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methyl transferase
UniProt
Q9LBJ0
Pockets
4 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMethyl transferaseprotein23438% helix, 29% strandQ9LBJ0

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
  • GOL · Glycerol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11470.710.9031empty
21640.680.8732empty
34380.630.7752empty
42380.560.7838empty

Interfaces

1 interface between chains.

  • A–B · 1916 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 5JE6 · Crystal structure of Burkholderia glumae ToxA · the same entry in another collection · chain A against A, TM-score 1.00

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