Copper in PDB 6pgj: Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7)

The structure of Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7), PDB code: 6pgj was solved by O.V.Ilyichova, M.Bentley, B.Doak, M.J.Scanlon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.69 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.608, 64.827, 74.131, 90.00, 125.93, 90.00
R / Rfree (%)	19.3 / 22.6

The binding sites of Copper atom in the Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7) (pdb code 6pgj). 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 Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7), PDB code: 6pgj:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7)


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 A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:0.1 occ:0.61 O B:ALA1 2.3 0.4 1.0 CB B:ALA1 2.5 0.8 1.0 CA B:ALA1 3.0 0.3 1.0 C B:ALA1 3.0 0.2 1.0 O B:HOH310 3.1 64.9 1.0 N B:ALA1 3.2 0.3 1.0 N B:GLN2 4.3 0.7 1.0 CU B:CU202 4.9 89.5 0.6

Copper binding site 2 out of 2 in the Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7)


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 Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu202 b:89.5 occ:0.59 CA B:ALA1 2.4 0.3 1.0 N B:ALA1 2.4 0.3 1.0 CB B:ALA1 3.0 0.8 1.0 O B:HOH322 3.1 67.1 1.0 C B:ALA1 3.8 0.2 1.0 N B:GLN2 4.2 0.7 1.0 O B:ALA1 4.8 0.4 1.0 CU B:CU201 4.9 0.1 0.6

M.Bentley, O.V.Ilyichova, B.Doak, M.J.Scanlon. Rapid Elaboration of Fragments Into Leads By X-Ray Crystallography (Refilx) To Be Published.