Structure of drra from legionella pneumophilia in complex with human RAB8A

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 13% strand (DSSP).

Ligands and binding sites

• GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
• LJN · [(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2, 3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate · ligand · chains A, B
• GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A, B
• MG · Magnesium ion · metal · chains A
• SO4 · Sulfate ion · ion · 5 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1182 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

• 6YX5 · Structure of DrrA from Legionella pneumophilia in complex with human Rab8a · the same entry in another collection · chain A against A, TM-score 1.00
• Q29ST3 · AlphaFold monomer V2.0 prediction for multifunctional virulence effector protein drra… · a predicted model of the same protein · chain B against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt A0A1U7REJ8
• Every structure of UniProt Q29ST3
• Elsewhere: RCSB PDB 6YX5 · PDBe 6YX5 · UniProt A0A1U7REJ8 · UniProt Q29ST3