Crystal structure of dimethyllysine hen egg-white lysozyme in complex with SCLX4 at 1.9 a resolution

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 11% strand (DSSP).

Ligands and binding sites

• T3Y · 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9, 13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12, 15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid · ligand · 4 copies · chains A, B
• MG · Magnesium ion · metal · 2 copies · chains A, B
• NA · Sodium ion · metal · chains A
• CL · Chloride ion · ion · 3 copies · chains A, B
• GOL · Glycerol · additive · 5 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, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 462 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified, 8 disulfide (methylation, disulfide, nonstandard).

Compared structures

• 4N0J · Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 1.9 A… · 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 P00698
• Elsewhere: RCSB PDB 4N0J · PDBe 4N0J · UniProt P00698