Copper in PDB 8uf9: Ecdsba in Complex with 2-Benzyl-4-Phenylthiazole-5-Carboxylic Acid

The structure of Ecdsba in Complex with 2-Benzyl-4-Phenylthiazole-5-Carboxylic Acid, PDB code: 8uf9 was solved by G.Wang, B.Heras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.33 / 2.16
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.63, 63.56, 96.34, 90, 141.01, 90
R / Rfree (%)	17.3 / 23.4

The binding sites of Copper atom in the Ecdsba in Complex with 2-Benzyl-4-Phenylthiazole-5-Carboxylic Acid (pdb code 8uf9). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total only one binding site of Copper was determined in the Ecdsba in Complex with 2-Benzyl-4-Phenylthiazole-5-Carboxylic Acid, PDB code: 8uf9:

Copper binding site 1 out of 1 in the Ecdsba in Complex with 2-Benzyl-4-Phenylthiazole-5-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Ecdsba in Complex with 2-Benzyl-4-Phenylthiazole-5-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:29.4 occ:1.00 OE2 B:GLU4 2.0 25.1 1.0 O B:ALA1 2.1 30.5 1.0 O B:HOH381 2.4 28.1 1.0 CA B:ALA1 2.5 30.7 1.0 CB B:ALA1 2.5 25.6 1.0 C B:ALA1 2.6 28.4 1.0 CD B:GLU4 3.0 26.0 1.0 CG B:GLU4 3.3 26.4 1.0 N B:ALA1 3.9 31.1 1.0 N B:GLN2 4.0 31.2 1.0 O B:HOH340 4.1 19.2 1.0 OE1 B:GLU4 4.1 28.3 1.0 O B:HOH414 4.4 31.1 1.0 CA B:GLN2 4.7 22.8 1.0 CB B:GLU4 4.8 22.7 1.0 C B:GLN2 4.9 20.1 1.0 O B:GLN2 4.9 17.5 1.0

G.Wang, B.Heras. Two-Mode Inhibition of Dsba: Combination of Two Site-Specific Inhibitors Enhances Virulence Inhibition in Salmonella Enterica Serovar Typhimurium To Be Published.