Copper in PDB 8u1y: E.Coli Dsba in Complex with N-(4-(Thiophen-3-Yl)Benzyl)Cyclohexanamine (original) (raw)
Protein crystallography data
The structure of E.Coli Dsba in Complex with N-(4-(Thiophen-3-Yl)Benzyl)Cyclohexanamine, PDB code: 8u1ywas 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) | 33.41 / 1.74 |
|---|---|
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 117.724, 64.003, 74.333, 90, 125.12, 90 |
| R / Rfree (%) | 16.8 / 20.2 |
Copper Binding Sites:
The binding sites of Copper atom in the E.Coli Dsba in Complex with N-(4-(Thiophen-3-Yl)Benzyl)Cyclohexanamine (pdb code 8u1y). 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 N-(4-(Thiophen-3-Yl)Benzyl)Cyclohexanamine, PDB code: 8u1y:
Copper binding site 1 out of 1 in 8u1y
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Copper Binding Sites List in 8u1y
Copper binding site 1 out of 1 in the E.Coli Dsba in Complex with N-(4-(Thiophen-3-Yl)Benzyl)Cyclohexanamine
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 N-(4-(Thiophen-3-Yl)Benzyl)Cyclohexanamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:53.5 occ:1.00 OE1 B:GLU4 2.1 75.7 1.0 O B:ALA1 2.1 41.0 1.0 N B:ALA1 2.3 46.2 1.0 C B:ALA1 2.8 41.8 1.0 CA B:ALA1 3.0 48.9 1.0 CD B:GLU4 3.1 72.9 1.0 CG B:GLU4 3.4 57.6 1.0 CB B:ALA1 3.9 45.3 1.0 N B:GLN2 4.1 41.0 1.0 O B:HOH324 4.1 35.4 1.0 O B:HOH447 4.2 57.8 1.0 OE2 B:GLU4 4.2 72.6 1.0 CA B:GLN2 4.7 41.5 1.0 C B:GLN2 4.9 41.4 1.0 O B:GLN2 4.9 42.1 1.0 CB B:GLU4 4.9 49.5 1.0 | | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
Reference:
G.Wang, B.Heras. Two-Mode Inhibition of Dsba: Combination of Two Site-Specific Inhibitors Enhances Virulence Inhibition in Salmonella Enterica Serovar Typhimurium To Be Published.
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