0.85 ångström structure of squid ganglion dfpase

Structure

x-ray diffraction · 1 distinct chain · 1% helix, 52% strand (DSSP).

Ligands and binding sites

• DXE · 1,2-dimethoxyethane · ligand · 3 copies · chains A
• ME2 · 1-ethoxy-2-(2-methoxyethoxy)ethane · ligand · chains A
• CA · Calcium ion · metal · 2 copies · chains A
• EDO · 1,2-ethanediol · additive · 8 copies · chains A
• MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A
• PGE · Triethylene glycol · additive · 2 copies · chains A
• MXE · 2-methoxyethanol · additive · 2 copies · chains A
• GOL · Glycerol · additive · 2 copies · chains A
• PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A

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

Pockets

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

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

• 1PJX · 0.85 ångström structure of squid ganglion dfpase · the same entry in another collection · chain A against A, TM-score 1.00
• Q7SIG4 · AlphaFold monomer V2.0 prediction for diisopropyl-fluorophosphatase (Q7SIG4) · a predicted model of the same protein · 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 Q7SIG4
• Elsewhere: RCSB PDB 1PJX · PDBe 1PJX · UniProt Q7SIG4