Crystal structure of hen egg-white lysozyme in complex with SCLX4 at 1.72 a resolution

Structure

x-ray diffraction · 1 distinct chain · 41% 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 · 5 copies · chains A, C, D, B
• MG · Magnesium ion · metal · 3 copies
• PG4 · Tetraethylene glycol · additive · 3 copies · chains A, D, B
• P6G · Hexaethylene glycol · additive · chains A
• PG6 · 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane · additive · chains 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

4 interfaces between chains.

• A–B · 632 Ų buried · 19 hydrogen bonds · protein-protein
• C–D · 612 Ų buried · 20 hydrogen bonds · protein-protein
• A–D · 359 Ų buried · 3 hydrogen bonds · protein-protein
• B–C · 357 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

• 4PRQ · Crystal structure of hen egg-white lysozyme in complex with SCLX4 at 1.72 a resolution · 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 4PRQ · PDBe 4PRQ · UniProt P00698