Copper in PDB 6br4: Crystal Structure of Escherichia Coli Dsba in Complex with {N}-Methyl- 1-(3-Thiophen-2-Ylphenyl)Methanamine

The structure of Crystal Structure of Escherichia Coli Dsba in Complex with {N}-Methyl- 1-(3-Thiophen-2-Ylphenyl)Methanamine, PDB code: 6br4 was solved by B.Heras, M.Totsika, J.J.Paxman, G.Wang, M.J.Scanlon, J.L.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.84 / 1.99
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.224, 63.937, 74.510, 90.00, 126.15, 90.00
R / Rfree (%)	16.8 / 21.5

The binding sites of Copper atom in the Crystal Structure of Escherichia Coli Dsba in Complex with {N}-Methyl- 1-(3-Thiophen-2-Ylphenyl)Methanamine (pdb code 6br4). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Crystal Structure of Escherichia Coli Dsba in Complex with {N}-Methyl- 1-(3-Thiophen-2-Ylphenyl)Methanamine, PDB code: 6br4:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of Escherichia Coli Dsba in Complex with {N}-Methyl- 1-(3-Thiophen-2-Ylphenyl)Methanamine


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 Escherichia Coli Dsba in Complex with {N}-Methyl- 1-(3-Thiophen-2-Ylphenyl)Methanamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:73.9 occ:1.00 OD2 B:ASP44 2.6 63.2 1.0 O B:HOH410 2.8 65.8 1.0 CG B:ASP44 3.5 37.3 1.0 CG B:HIS41 3.6 46.1 1.0 ND1 B:HIS41 3.6 55.1 1.0 CB B:HIS41 3.6 31.6 1.0 CB B:ASP44 3.6 43.1 1.0 CE1 B:HIS41 4.2 60.6 1.0 CD2 B:HIS41 4.3 55.5 1.0 O B:HOH387 4.3 45.2 1.0 NE2 B:HIS41 4.6 55.5 1.0 OD1 B:ASP44 4.7 40.1 1.0 ND2 B:ASN45 5.0 34.4 1.0

Copper binding site 2 out of 2 in the Crystal Structure of Escherichia Coli Dsba in Complex with {N}-Methyl- 1-(3-Thiophen-2-Ylphenyl)Methanamine


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Escherichia Coli Dsba in Complex with {N}-Methyl- 1-(3-Thiophen-2-Ylphenyl)Methanamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu202 b:70.4 occ:1.00 OE2 B:GLU4 2.5 65.8 1.0 CG B:GLN2 2.6 56.4 1.0 OE1 B:GLN2 3.0 78.2 1.0 CD B:GLN2 3.0 59.6 1.0 CD B:GLU4 3.4 65.8 1.0 CB B:GLN2 3.7 60.9 1.0 CG B:GLU4 3.7 55.1 1.0 NE2 B:GLN2 4.0 60.4 1.0 O B:HOH427 4.2 45.2 1.0 O B:HOH318 4.2 35.4 1.0 OE1 B:GLU4 4.6 67.7 1.0 O B:GLN2 4.9 49.2 1.0 CA B:GLN2 5.0 64.9 1.0

M.Totsika, D.Vagenas, J.J.Paxman, G.Wang, R.Dhouib, P.Sharma, J.L.Martin, M.J.Scanlon, B.Heras. Inhibition of Diverse Dsba Enzymes in Multi-Dsba Encoding Pathogens. Antioxid. Redox Signal. V. 29 653 2018.
ISSN: ESSN 1557-7716
PubMed: 29237285
DOI: 10.1089/ARS.2017.7104