Copper in PDB 6pvy: E.Coli Dsba in Complex with Benzofuran Compound 26 ([6-(3- Methoxyphenoxy)-1-Benzofuran-3-Yl]Acetic Acid)

The structure of E.Coli Dsba in Complex with Benzofuran Compound 26 ([6-(3- Methoxyphenoxy)-1-Benzofuran-3-Yl]Acetic Acid), PDB code: 6pvy 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)	34.63 / 1.74
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.317, 63.895, 74.461, 90.00, 125.84, 90.00
R / Rfree (%)	19.3 / 22.5

The binding sites of Copper atom in the E.Coli Dsba in Complex with Benzofuran Compound 26 ([6-(3- Methoxyphenoxy)-1-Benzofuran-3-Yl]Acetic Acid) (pdb code 6pvy). 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 Benzofuran Compound 26 ([6-(3- Methoxyphenoxy)-1-Benzofuran-3-Yl]Acetic Acid), PDB code: 6pvy:

Copper binding site 1 out of 1 in the E.Coli Dsba in Complex with Benzofuran Compound 26 ([6-(3- Methoxyphenoxy)-1-Benzofuran-3-Yl]Acetic 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 Benzofuran Compound 26 ([6-(3- Methoxyphenoxy)-1-Benzofuran-3-Yl]Acetic Acid) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu202 b:54.1 occ:1.00 O B:ALA1 2.1 67.4 1.0 OE2 B:GLU4 2.1 62.9 1.0 N B:ALA1 2.2 56.8 1.0 C B:ALA1 2.8 59.4 1.0 CA B:ALA1 2.9 54.9 1.0 CD B:GLU4 3.1 70.7 1.0 CG B:GLU4 3.4 60.1 1.0 CB B:ALA1 3.7 56.8 1.0 O B:HOH393 3.9 47.2 1.0 N B:GLN2 4.1 49.7 1.0 O B:HOH309 4.1 41.7 1.0 OE1 B:GLU4 4.2 64.2 1.0 CA B:GLN2 4.7 46.9 1.0 C B:GLN2 4.9 50.2 1.0 CB B:GLU4 4.9 59.8 1.0 O B:GLN2 4.9 46.0 1.0

L.F.Duncan, G.Wang, O.V.Ilyichova, M.J.Scanlon, B.Heras, B.M.Abbott. The Fragment-Based Development of A Benzofuran Hit As A New Class Ofescherichia Colidsba Inhibitors. Molecules V. 24 2019.
ISSN: ESSN 1420-3049
PubMed: 31635355
DOI: 10.3390/MOLECULES24203756