Copper in PDB 4b5q: The Lytic Polysaccharide Monooxygenase GH61D Structure From the Basidiomycota Fungus Phanerochaete Chrysosporium

The structure of The Lytic Polysaccharide Monooxygenase GH61D Structure From the Basidiomycota Fungus Phanerochaete Chrysosporium, PDB code: 4b5q was solved by M.Wu, G.T.Beckham, A.M.Larsson, T.Ishida, S.Kim, M.F.Crowley, C.M.Payne, S.J.Horn, B.Westereng, J.Stahlberg, V.G.H.Eijsink, M.Sandgren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.88 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	149.308, 37.521, 79.848, 90.00, 117.41, 90.00
R / Rfree (%)	18.6 / 22.3

The binding sites of Copper atom in the The Lytic Polysaccharide Monooxygenase GH61D Structure From the Basidiomycota Fungus Phanerochaete Chrysosporium (pdb code 4b5q). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the The Lytic Polysaccharide Monooxygenase GH61D Structure From the Basidiomycota Fungus Phanerochaete Chrysosporium, PDB code: 4b5q:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the The Lytic Polysaccharide Monooxygenase GH61D Structure From the Basidiomycota Fungus Phanerochaete Chrysosporium


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of The Lytic Polysaccharide Monooxygenase GH61D Structure From the Basidiomycota Fungus Phanerochaete Chrysosporium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu221 b:14.8 occ:1.00 NE2 A:HIS76 1.9 13.9 1.0 ND1 A:HIS1 1.9 15.5 1.0 N A:HIS1 2.1 13.5 1.0 OH A:TYR160 2.8 10.3 1.0 CG A:HIS1 2.9 15.3 1.0 CE1 A:HIS76 2.9 14.3 1.0 CD2 A:HIS76 2.9 13.8 1.0 CE1 A:HIS1 3.0 16.1 1.0 C1 A:GOL222 3.1 32.6 1.0 CA A:HIS1 3.1 13.8 1.0 CB A:HIS1 3.3 14.3 1.0 OH A:TYR75 3.6 15.0 1.0 O1 A:GOL222 3.8 34.4 1.0 CZ A:TYR160 3.8 10.0 1.0 O3 A:GOL222 3.8 35.0 1.0 OE1 A:GLN158 3.9 14.3 1.0 ND1 A:HIS76 4.1 13.6 1.0 NE2 A:HIS1 4.1 16.2 1.0 CD2 A:HIS1 4.1 15.7 1.0 CG A:HIS76 4.1 13.9 1.0 CZ A:TYR75 4.2 14.7 1.0 C2 A:GOL222 4.3 33.8 1.0 C3 A:GOL222 4.4 33.8 1.0 C A:HIS1 4.5 13.2 1.0 CE1 A:TYR75 4.5 14.8 1.0 CE1 A:TYR160 4.5 10.0 1.0 CE2 A:TYR160 4.5 9.9 1.0 NE2 A:HIS149 4.7 16.7 1.0 CE1 A:HIS149 4.9 16.2 1.0 CD A:GLN158 5.0 14.1 1.0

Copper binding site 2 out of 2 in the The Lytic Polysaccharide Monooxygenase GH61D Structure From the Basidiomycota Fungus Phanerochaete Chrysosporium


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of The Lytic Polysaccharide Monooxygenase GH61D Structure From the Basidiomycota Fungus Phanerochaete Chrysosporium within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu221 b:16.2 occ:1.00 NE2 B:HIS76 1.9 14.5 1.0 ND1 B:HIS1 2.0 17.4 1.0 N B:HIS1 2.1 16.0 1.0 OH B:TYR160 2.8 13.7 1.0 CD2 B:HIS76 2.9 14.9 1.0 CE1 B:HIS76 2.9 14.6 1.0 CG B:HIS1 3.0 17.0 1.0 CE1 B:HIS1 3.0 17.1 1.0 CA B:HIS1 3.1 15.7 1.0 C3 B:GOL222 3.1 33.7 1.0 CB B:HIS1 3.3 16.4 1.0 C1 B:GOL222 3.6 35.3 1.0 O1 B:GOL222 3.7 36.0 1.0 CZ B:TYR160 3.7 13.3 1.0 OE1 B:GLN158 3.7 15.2 1.0 OH B:TYR75 3.9 19.1 1.0 C2 B:GOL222 3.9 34.6 1.0 ND1 B:HIS76 4.1 14.6 1.0 CG B:HIS76 4.1 14.8 1.0 NE2 B:HIS1 4.2 17.4 1.0 CD2 B:HIS1 4.2 17.2 1.0 O3 B:GOL222 4.3 34.4 1.0 C B:HIS1 4.4 15.4 1.0 CZ B:TYR75 4.4 19.1 1.0 CE1 B:TYR160 4.5 13.2 1.0 CE2 B:TYR160 4.5 12.9 1.0 CE1 B:TYR75 4.6 18.8 1.0 NE2 B:HIS149 4.6 15.5 1.0 CE1 B:HIS149 4.7 15.0 1.0 CD B:GLN158 4.9 15.0 1.0

M.Wu, G.T.Beckham, A.M.Larsson, T.Ishida, S.Kim, C.M.Payne, M.E.Himmel, M.F.Crowley, S.J.Horn, B.Westereng, K.Igarashi, M.Samejima, J.Stahlberg, V.G.H.Eijsink, M.Sandgren. Crystal Structure and Computational Characterization of the Lytic Polysaccharide Monooxygenase GH61D From the Basidiomycota Fungus Phanerochaete Chrysosporium J.Biol.Chem. V. 288 12828 2013.
ISSN: ISSN 0021-9258
PubMed: 23525113
DOI: 10.1074/JBC.M113.459396