Copper in PDB 9bwf: Crystal Structure of Cellulose Oxidative Enzyme Without Ligand

The structure of Crystal Structure of Cellulose Oxidative Enzyme Without Ligand, PDB code: 9bwf was solved by M.A.B.Morais, C.A.Santos, E.A.Araujo, C.R.Santos, L.G.Morao, M.L.Motta, M.T.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.81 / 2.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.218, 72.218, 94.943, 90, 90, 120
R / Rfree (%)	22.5 / 27.2

The binding sites of Copper atom in the Crystal Structure of Cellulose Oxidative Enzyme Without Ligand (pdb code 9bwf). 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 Cellulose Oxidative Enzyme Without Ligand, PDB code: 9bwf:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of Cellulose Oxidative Enzyme Without Ligand


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 Cellulose Oxidative Enzyme Without Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:66.3 occ:0.72 OE1 A:GLN50 2.2 64.3 1.0 NE2 A:HIS84 2.3 71.5 1.0 NE2 A:HIS44 2.3 79.3 1.0 NE2 A:HIS46 2.4 69.0 1.0 O A:HOH303 2.8 66.5 1.0 CE1 A:HIS44 3.1 75.2 1.0 O A:HOH302 3.2 74.1 1.0 CD2 A:HIS84 3.2 67.5 1.0 CE1 A:HIS84 3.2 70.5 1.0 CD2 A:HIS46 3.2 71.2 1.0 CD A:GLN50 3.2 62.0 1.0 CD2 A:HIS44 3.3 78.5 1.0 CE1 A:HIS46 3.5 68.2 1.0 NE2 A:GLN50 3.6 63.0 1.0 ND1 A:HIS44 4.2 77.9 1.0 CG A:HIS44 4.3 76.0 1.0 ND1 A:HIS84 4.3 75.3 1.0 CG A:HIS84 4.4 71.6 1.0 CG A:HIS46 4.5 70.9 1.0 ND1 A:HIS46 4.5 69.2 1.0 NH1 A:ARG102 4.6 79.8 1.0 CG A:GLN50 4.6 60.7 1.0 CE1 A:PHE98 4.7 64.2 1.0 CB A:GLN50 5.0 60.4 1.0

Copper binding site 2 out of 2 in the Crystal Structure of Cellulose Oxidative Enzyme Without Ligand


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 Cellulose Oxidative Enzyme Without Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:88.0 occ:0.84 NE2 B:HIS44 2.3 128.3 1.0 OE1 B:GLN50 2.5 74.6 1.0 NE2 B:HIS46 2.6 76.0 1.0 NE2 B:HIS84 2.6 91.8 1.0 O B:HOH303 2.9 77.0 1.0 O B:HOH304 2.9 82.2 1.0 CD2 B:HIS46 3.0 79.0 1.0 CD2 B:HIS44 3.2 126.4 1.0 CE1 B:HIS44 3.3 126.8 1.0 CD B:GLN50 3.5 69.1 1.0 CD2 B:HIS84 3.5 87.7 1.0 CE1 B:HIS84 3.6 91.2 1.0 NE2 B:GLN50 3.8 69.6 1.0 CE1 B:HIS46 3.8 74.2 1.0 CG B:HIS44 4.3 118.7 1.0 CG B:HIS46 4.3 75.4 1.0 ND1 B:HIS44 4.3 124.7 1.0 NH1 B:ARG102 4.5 69.5 1.0 CE1 B:PHE98 4.6 64.8 1.0 ND1 B:HIS46 4.7 74.7 1.0 CG B:HIS84 4.7 88.4 1.0 ND1 B:HIS84 4.7 87.5 1.0 CG B:GLN50 4.9 64.1 1.0 CZ B:PHE98 4.9 64.6 1.0

M.A.B.Morais, C.A.Santos, E.A.Araujo, C.R.Santos, L.G.Morao, M.L.Motta, M.T.Murakami. Crystal Structure of Cellulose Oxidative Enzyme Without Ligand To Be Published.