Copper in PDB 2yoy: Bacillus Amyloliquefaciens CBM33 in Complex with Cu(I) Reduced Using Ascorbate

The structure of Bacillus Amyloliquefaciens CBM33 in Complex with Cu(I) Reduced Using Ascorbate, PDB code: 2yoy was solved by G.R.Hemsworth, E.J.Taylor, R.Q.Kim, S.J.Lewis, J.P.Turkenburg, G.J.Davies, P.H.Walton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.64 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.380, 77.191, 73.917, 90.00, 90.00, 90.00
R / Rfree (%)	20.878 / 24.836

The binding sites of Copper atom in the Bacillus Amyloliquefaciens CBM33 in Complex with Cu(I) Reduced Using Ascorbate (pdb code 2yoy). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Bacillus Amyloliquefaciens CBM33 in Complex with Cu(I) Reduced Using Ascorbate, PDB code: 2yoy:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Bacillus Amyloliquefaciens CBM33 in Complex with Cu(I) Reduced Using Ascorbate


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Bacillus Amyloliquefaciens CBM33 in Complex with Cu(I) Reduced Using Ascorbate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu300 b:14.6 occ:1.00 ND1 A:HIS28 1.9 13.3 1.0 NE2 A:HIS125 2.0 20.7 1.0 N A:HIS28 2.2 9.8 1.0 CG A:HIS28 2.9 11.7 1.0 CD2 A:HIS125 2.9 14.3 1.0 CE1 A:HIS28 2.9 16.6 1.0 CE1 A:HIS125 3.0 22.7 1.0 CA A:HIS28 3.2 11.2 1.0 CB A:HIS28 3.2 9.1 1.0 C2 A:EDO1206 3.5 26.6 1.0 CZ A:PHE196 3.7 10.5 1.0 C1 A:EDO1206 3.8 24.1 1.0 NE2 A:HIS28 4.0 13.7 1.0 CB A:ALA123 4.0 18.9 1.0 CD2 A:HIS28 4.0 13.5 1.0 O A:ALA123 4.0 14.8 1.0 ND1 A:HIS125 4.1 16.6 1.0 CG A:HIS125 4.1 14.6 1.0 CE1 A:PHE196 4.3 9.6 1.0 O2 A:EDO1206 4.3 24.9 1.0 CE2 A:PHE196 4.4 8.1 1.0 C A:HIS28 4.5 12.2 1.0 O A:HIS28 4.9 11.9 1.0 C A:ALA123 4.9 13.6 1.0

Copper binding site 2 out of 2 in the Bacillus Amyloliquefaciens CBM33 in Complex with Cu(I) Reduced Using Ascorbate


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Bacillus Amyloliquefaciens CBM33 in Complex with Cu(I) Reduced Using Ascorbate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu300 b:14.3 occ:1.00 ND1 B:HIS28 1.9 17.6 1.0 NE2 B:HIS125 2.0 17.2 1.0 N B:HIS28 2.2 11.6 1.0 CG B:HIS28 2.9 8.7 1.0 CD2 B:HIS125 2.9 11.0 1.0 CE1 B:HIS28 2.9 19.0 1.0 CE1 B:HIS125 3.0 17.6 1.0 CA B:HIS28 3.2 12.0 1.0 CB B:HIS28 3.2 12.8 1.0 CZ B:PHE196 3.6 9.9 1.0 C2 B:EDO1206 3.7 32.9 1.0 C1 B:EDO1206 3.9 27.0 1.0 NE2 B:HIS28 4.0 14.0 1.0 CD2 B:HIS28 4.0 12.9 1.0 CB B:ALA123 4.0 16.8 1.0 O B:ALA123 4.1 16.1 1.0 ND1 B:HIS125 4.1 19.1 1.0 CG B:HIS125 4.1 11.8 1.0 O2 B:EDO1206 4.2 20.4 1.0 CE1 B:PHE196 4.3 9.4 1.0 CE2 B:PHE196 4.4 6.2 1.0 C B:HIS28 4.5 13.9 1.0 O B:HIS28 4.9 10.4 1.0 C B:ALA123 5.0 13.1 1.0

G.R.Hemsworth, E.J.Taylor, R.Q.Kim, R.C.Gregory, S.J.Lewis, J.P.Turkenburg, A.Parkin, G.J.Davies, P.H.Walton. The Copper Active Site of CBM33 Polysaccharide Oxygenases. J.Am.Chem.Soc. V. 135 6069 2013.
ISSN: ISSN 0002-7863
PubMed: 23540833
DOI: 10.1021/JA402106E