Serratia marcescens chitinase B complexed with macrolide inhibitor 30

Structure

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

Ligands and binding sites

• M6B · (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate · ligand · 2 copies · chains A
• NA · Sodium ion · metal · chains A
• PO3 · Phosphite ion · ion · chains A
• GOL · Glycerol · additive · 4 copies · chains A
• MOH · Methanol · additive · 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

• 4Z2I · Serratia marcescens Chitinase B complexed with macrolide inhibitor 30 · 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 4Z2I · PDBe 4Z2I · UniProt P11797