Haddock calculated model of the complex of the resistance protein calc and calicheamicin-gamma

Structure

solution nmr · 1 distinct chain · 25% helix, 30% strand (DSSP).

Ligands and binding sites

• DAG · 4-amino-4,6-dideoxy-beta-D-glucopyranose · ligand · chains A
• EMP · 2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose · ligand
• DSR · 2,6-dideoxy-4-thio-beta-D-allopyranose · ligand · chains A
• HIB · 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoic acid · ligand · chains A
• MRP · 3-O-methyl-alpha-L-rhamnopyranose · ligand · chains A
• MTC · [1,8-dihydroxy-11-oxo-13-(2-methyltrithio-ethylidene)-bicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-carbamic acid methyl ester · ligand · chains A

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

Pockets

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

Compared structures

• 2L65 · HADDOCK calculated model of the complex of the resistance protein CalC and… · 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 Q8KNF0
• Elsewhere: RCSB PDB 2L65 · PDBe 2L65 · UniProt Q8KNF0