Copper in PDB 6pml: Crystal Structure of Ecdsba in Complex Benzyl Ether 23

The structure of Crystal Structure of Ecdsba in Complex Benzyl Ether 23, PDB code: 6pml was solved by O.V.Ilyichova, M.J.Scanlon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.84 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.540, 63.740, 96.190, 90.00, 140.85, 90.00
R / Rfree (%)	18.2 / 22.1

The binding sites of Copper atom in the Crystal Structure of Ecdsba in Complex Benzyl Ether 23 (pdb code 6pml). 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 Crystal Structure of Ecdsba in Complex Benzyl Ether 23, PDB code: 6pml:

Copper binding site 1 out of 1 in the Crystal Structure of Ecdsba in Complex Benzyl Ether 23


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Ecdsba in Complex Benzyl Ether 23 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:81.0 occ:1.00 O B:ALA1 2.0 63.9 1.0 OE1 B:GLU4 2.0 80.2 1.0 N B:ALA1 2.4 40.6 1.0 C B:ALA1 2.8 41.6 1.0 CD B:GLU4 3.0 55.0 1.0 CA B:ALA1 3.0 37.7 1.0 CG B:GLU4 3.4 45.4 1.0 CB B:ALA1 3.7 29.3 1.0 N B:GLN2 4.1 63.6 1.0 O B:HOH329 4.1 36.7 1.0 OE2 B:GLU4 4.2 60.3 1.0 O B:HOH433 4.4 53.6 1.0 CA B:GLN2 4.7 36.5 1.0 CB B:GLU4 4.9 40.7 1.0 C B:GLN2 4.9 35.4 1.0 O B:GLN2 4.9 34.2 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