Copper in PDB 6whd: Crystal Structure of E.Coli Dsba in Complex with Diaryl Ether Analogue 2

The structure of Crystal Structure of E.Coli Dsba in Complex with Diaryl Ether Analogue 2, PDB code: 6whd 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)	34.61 / 1.99
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.770, 64.500, 74.210, 90.00, 125.89, 90.00
R / Rfree (%)	17.9 / 22.1

The binding sites of Copper atom in the Crystal Structure of E.Coli Dsba in Complex with Diaryl Ether Analogue 2 (pdb code 6whd). 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 E.Coli Dsba in Complex with Diaryl Ether Analogue 2, PDB code: 6whd:

Copper binding site 1 out of 1 in the Crystal Structure of E.Coli Dsba in Complex with Diaryl Ether Analogue 2


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 E.Coli Dsba in Complex with Diaryl Ether Analogue 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu202 b:38.0 occ:0.50 O B:ALA1 4.3 79.9 1.0

M.R.Bentley, O.V.Ilyichova, G.Wang, M.L.Williams, G.Sharma, W.S.Alwan, R.L.Whitehouse, B.Mohanty, P.J.Scammells, B.Heras, J.L.Martin, M.Totsika, B.Capuano, B.Doak, M.J.Scanlon. Rapid Elaboration of Fragments Into Leads By X-Ray Crystallographic Screening of Parallel Chemical Libraries (Refilx). J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32529824
DOI: 10.1021/ACS.JMEDCHEM.0C00111