Crystal structure of birch pollen allergen bet V 1 isoform J in complex with 8-anilinonaphthalene-1-sulfonate (ans)

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 40% strand (DSSP).

Ligands and binding sites

• 2AN · 8-anilino-1-naphthalene sulfonate · ligand · chains A
• SO4 · Sulfate ion · ion · 4 copies · chains A
• MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

Compared structures

• 4A8V · Crystal Structure of Birch Pollen Allergen Bet v 1 isoform j in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• P43183 · AlphaFold monomer V2.0 prediction for major pollen allergen bet V 1-J (P43183) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P43183
• Elsewhere: RCSB PDB 4A8V · PDBe 4A8V · UniProt P43183