The structure of a ternary complex of E. COLI waac

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 18% strand (DSSP).

Ligands and binding sites

• GN1 · 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose · ligand · 2 copies · chains A, B
• GN4 · 2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose · ligand · 2 copies · chains A, B
• GA7 · [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R)-1-{(2S,3S, 4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}propan-2-yl hydrogen (R)-phosphate (non-preferred name) · ligand · 2 copies · chains A, B
• KDO · 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid · sugar · 4 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 299 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

• 6DFE · The structure of a ternary complex of E. coli WaaC · 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 A0A152KUZ3
• Elsewhere: RCSB PDB 6DFE · PDBe 6DFE · UniProt A0A152KUZ3