Copper in PDB 7ttv: E.Coli Dsba in Complex with 4-Phenyl-2-(3-Phenylpropyl)Thiazole-5- Carboxylic Acid

The structure of E.Coli Dsba in Complex with 4-Phenyl-2-(3-Phenylpropyl)Thiazole-5- Carboxylic Acid, PDB code: 7ttv 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)	37.08 / 1.99
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.45, 63.74, 74.28, 90, 125.87, 90
R / Rfree (%)	18.1 / 22.7

The binding sites of Copper atom in the E.Coli Dsba in Complex with 4-Phenyl-2-(3-Phenylpropyl)Thiazole-5- Carboxylic Acid (pdb code 7ttv). 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 E.Coli Dsba in Complex with 4-Phenyl-2-(3-Phenylpropyl)Thiazole-5- Carboxylic Acid, PDB code: 7ttv:

Copper binding site 1 out of 1 in the E.Coli Dsba in Complex with 4-Phenyl-2-(3-Phenylpropyl)Thiazole-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 E.Coli Dsba in Complex with 4-Phenyl-2-(3-Phenylpropyl)Thiazole-5- Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:29.8 occ:1.00 OE2 B:GLU4 2.0 27.8 1.0 O B:ALA1 2.2 27.0 1.0 CB B:ALA1 2.5 23.8 1.0 CA B:ALA1 2.5 27.2 1.0 C B:ALA1 2.7 23.5 1.0 CD B:GLU4 3.0 31.8 1.0 CG B:GLU4 3.3 25.8 1.0 O B:HOH368 3.9 25.2 1.0 N B:ALA1 3.9 30.1 1.0 N B:GLN2 4.0 19.2 1.0 OE1 B:GLU4 4.1 37.7 1.0 O B:HOH442 4.3 34.7 1.0 CA B:GLN2 4.7 17.8 1.0 CB B:GLU4 4.8 31.0 1.0 O B:GLN2 4.9 22.8 1.0 C B:GLN2 4.9 18.8 1.0

B.Mohanty, J.Orts, G.Wang, S.Nebl, W.S.Alwan, B.C.Doak, M.L.Williams, B.Heras, M.Mobli, M.J.Scanlon. Methyl Probes in Proteins For Determining Ligand Binding Mode in Weak Protein-Ligand Complexes. Sci Rep V. 12 11231 2022.
ISSN: ESSN 2045-2322
PubMed: 35789157
DOI: 10.1038/S41598-022-13561-Y