Structure of hyperstable haloalkane dehalogenase variant DHAA115 prepared by the 'soak-and-freeze' method under 150 bar of krypton pressure

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).

Ligands and binding sites

• KR · Krypton · ion · 21 copies · chains A, B
• SCN · Thiocyanate ion · ion · 6 copies · chains A, B
• GOL · Glycerol · additive · 8 copies · chains A, B
• B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 302 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

• 6SP8 · Structure of hyperstable haloalkane dehalogenase variant DhaA115 prepared by the… · the same entry in another collection · chain A against A, TM-score 1.00
• P0A3G2 · AlphaFold monomer V2.0 prediction for haloalkane dehalogenase (P0A3G2) · 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 P0A3G2
• Elsewhere: RCSB PDB 6SP8 · PDBe 6SP8 · UniProt P0A3G2