Copper in PDB 2yox: Bacillus Amyloliquefaciens CBM33 in Complex with Cu(I) After Photoreduction

The structure of Bacillus Amyloliquefaciens CBM33 in Complex with Cu(I) After Photoreduction, PDB code: 2yox 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)	19.93 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.765, 73.549, 75.846, 90.00, 100.33, 90.00
R / Rfree (%)	21.506 / 26.964

The binding sites of Copper atom in the Bacillus Amyloliquefaciens CBM33 in Complex with Cu(I) After Photoreduction (pdb code 2yox). 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) After Photoreduction, PDB code: 2yox:
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) After Photoreduction


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) After Photoreduction within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu300 b:14.4 occ:1.00 ND1 A:HIS28 2.0 20.3 1.0 NE2 A:HIS125 2.0 10.9 1.0 N A:HIS28 2.3 16.1 1.0 CG A:HIS28 2.9 9.2 1.0 CD2 A:HIS125 3.0 18.3 1.0 CE1 A:HIS28 3.0 25.5 1.0 CE1 A:HIS125 3.0 25.4 1.0 CA A:HIS28 3.2 20.9 1.0 CB A:HIS28 3.3 11.5 1.0 CZ A:PHE196 3.7 15.2 1.0 CD2 A:HIS28 4.1 5.1 1.0 NE2 A:HIS28 4.1 27.8 1.0 ND1 A:HIS125 4.1 14.8 1.0 CG A:HIS125 4.1 16.9 1.0 O A:ALA123 4.1 22.0 1.0 CB A:ALA123 4.1 21.9 1.0 CE1 A:PHE196 4.3 22.9 1.0 C A:HIS28 4.6 7.6 1.0 CE2 A:PHE196 4.6 11.0 1.0 O A:HIS28 5.0 7.5 1.0

Copper binding site 2 out of 2 in the Bacillus Amyloliquefaciens CBM33 in Complex with Cu(I) After Photoreduction


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) After Photoreduction within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu300 b:15.2 occ:1.00 NE2 B:HIS125 2.0 8.6 1.0 ND1 B:HIS28 2.0 15.4 1.0 N B:HIS28 2.4 10.1 1.0 CE1 B:HIS28 3.0 20.4 1.0 CE1 B:HIS125 3.0 16.8 1.0 CD2 B:HIS125 3.0 12.0 1.0 CG B:HIS28 3.0 7.7 1.0 CA B:HIS28 3.3 18.9 1.0 CB B:HIS28 3.3 12.1 1.0 CZ B:PHE196 3.7 11.7 1.0 NE2 B:HIS28 4.1 19.5 1.0 ND1 B:HIS125 4.1 15.7 1.0 CD2 B:HIS28 4.1 7.9 1.0 CG B:HIS125 4.1 16.0 1.0 CB B:ALA123 4.2 22.6 1.0 O B:ALA123 4.2 16.9 1.0 CE1 B:PHE196 4.3 14.6 1.0 C B:HIS28 4.6 12.7 1.0 CE2 B:PHE196 4.6 13.5 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