Copper in PDB 6gsg: Crystal Structure of Aspergillus Oryzae Catechol Oxidase Complexed with Resorcinol

The structure of Crystal Structure of Aspergillus Oryzae Catechol Oxidase Complexed with Resorcinol, PDB code: 6gsg was solved by L.Penttinen, N.Hakulinen, J.Rouvinen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.42 / 2.19
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.037, 114.037, 92.463, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 21.2

The binding sites of Copper atom in the Crystal Structure of Aspergillus Oryzae Catechol Oxidase Complexed with Resorcinol (pdb code 6gsg). 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 Aspergillus Oryzae Catechol Oxidase Complexed with Resorcinol, PDB code: 6gsg:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of Aspergillus Oryzae Catechol Oxidase Complexed with Resorcinol


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 Aspergillus Oryzae Catechol Oxidase Complexed with Resorcinol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu2001 b:52.6 occ:1.00 NE2 A:HIS102 2.0 46.3 1.0 NE2 A:HIS119 2.1 46.2 1.0 NE2 A:HIS110 2.3 55.1 1.0 O2 A:PEO2014 2.4 39.5 1.0 CE1 A:HIS110 2.9 57.7 1.0 CE1 A:HIS119 2.9 45.0 1.0 CD2 A:HIS102 2.9 44.5 1.0 CE1 A:HIS102 3.0 42.6 1.0 O1 A:PEO2014 3.1 57.0 1.0 CD2 A:HIS119 3.2 46.2 1.0 CD2 A:HIS110 3.4 54.6 1.0 ND1 A:HIS110 4.1 53.4 1.0 ND1 A:HIS102 4.1 44.3 1.0 CG A:HIS102 4.1 42.2 1.0 ND1 A:HIS119 4.1 47.8 1.0 CD1 A:ILE109 4.2 46.1 1.0 CG A:HIS119 4.2 45.4 1.0 CU A:CU2002 4.4 56.8 1.0 CG A:HIS110 4.4 53.8 1.0 CE2 A:PHE308 4.4 42.2 1.0 CZ A:PHE308 4.4 38.1 1.0 CZ3 A:TRP118 4.6 43.1 1.0 NE2 A:HIS312 4.7 50.1 1.0 CG1 A:ILE109 4.7 50.1 1.0 O1 A:RCO2013 4.7 51.3 0.7 OG A:SER302 4.9 43.6 0.7 CE1 A:HIS312 4.9 43.4 1.0

Copper binding site 2 out of 2 in the Crystal Structure of Aspergillus Oryzae Catechol Oxidase Complexed with Resorcinol


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 Aspergillus Oryzae Catechol Oxidase Complexed with Resorcinol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu2002 b:56.8 occ:1.00 NE2 A:HIS312 2.0 50.1 1.0 NE2 A:HIS288 2.0 49.2 1.0 NE2 A:HIS284 2.1 49.9 1.0 O2 A:PEO2014 2.3 39.5 1.0 CE1 A:HIS312 2.8 43.4 1.0 CD2 A:HIS284 3.0 49.0 1.0 CD2 A:HIS288 3.0 45.5 1.0 CE1 A:HIS284 3.0 50.0 1.0 CE1 A:HIS288 3.1 48.6 1.0 CD2 A:HIS312 3.1 43.1 1.0 O1 A:PEO2014 3.1 57.0 1.0 O1 A:RCO2013 3.9 51.3 0.7 ND1 A:HIS312 4.0 43.4 1.0 CE2 A:PHE308 4.0 42.2 1.0 ND1 A:HIS284 4.1 50.0 1.0 CG A:HIS284 4.1 49.7 1.0 CG A:HIS312 4.1 45.4 1.0 ND1 A:HIS288 4.1 47.0 1.0 CG A:HIS288 4.1 50.4 1.0 CU A:CU2001 4.4 52.6 1.0 C1 A:RCO2013 4.4 50.8 0.7 CD2 A:HIS311 4.4 48.8 1.0 NE2 A:HIS311 4.5 47.2 1.0 C2 A:RCO2013 4.6 47.4 0.7 NE2 A:HIS119 4.6 46.2 1.0 CD2 A:PHE308 4.7 40.8 1.0 CD2 A:HIS119 4.7 46.2 1.0 CZ A:PHE308 4.7 38.1 1.0 NE2 A:HIS110 4.9 55.1 1.0

L.Penttinen, C.Rutanen, J.Janis, J.Rouvinen, N.Hakulinen. Unraveling Substrate Specificity and Catalytic Promiscuity of Aspergillus Oryzae Catechol Oxidase. Chembiochem V. 19 2348 2018.
ISSN: ESSN 1439-7633
PubMed: 30204291
DOI: 10.1002/CBIC.201800387