Serratia marcescens chitinase B complexed with macrolide inhibitor 33

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 20% strand (DSSP).

Ligands and binding sites

• M6F · (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate · ligand · chains A
• CL · Chloride ion · ion · chains A
• GOL · Glycerol · additive · 4 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, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 4Z2L · Serratia marcescens Chitinase B complexed with macrolide inhibitor 33 · the same entry in another collection · chain A against A, TM-score 1.00
• P11797 · AlphaFold monomer V2.0 prediction for chitinase B (P11797) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 P11797
• Elsewhere: RCSB PDB 4Z2L · PDBe 4Z2L · UniProt P11797