Crystal structure of neisseria meningitidis vaccine antigen nada variant 3

Structure

x-ray diffraction · 2 distinct chains · 77% helix, 7% strand (DSSP).

Ligands and binding sites

• P4G · 1-ethoxy-2-(2-ethoxyethoxy)ethane · ligand · 2 copies · chains A, C, B
• PO4 · Phosphate ion · ion · 4 copies · chains A, C, B
• CL · Chloride ion · ion · chains A, B, C
• EDO · 1,2-ethanediol · additive · 13 copies · chains A, B, C
• PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B, C
• MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains B, C, A
• CIT · Citric acid · additive · chains A, B
• 2PE · Nonaethylene glycol · additive · chains A, B

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

Pockets

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

Interfaces

3 interfaces between chains.

• A–B · 1914 Ų buried · 7 hydrogen bonds · protein-protein
• B–C · 1906 Ų buried · 9 hydrogen bonds · protein-protein
• A–C · 1897 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

• 6EUN · Crystal structure of Neisseria meningitidis vaccine antigen NadA variant 3 · the same entry in another collection · chain A 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 A0ELI3
• Elsewhere: RCSB PDB 6EUN · PDBe 6EUN · UniProt A0ELI3