Copper in PDB 4j3q: Crystal Structure of Truncated Catechol Oxidase From Aspergillus Oryzae

All present enzymatic activity of Crystal Structure of Truncated Catechol Oxidase From Aspergillus Oryzae:
1.10.3.1;

The structure of Crystal Structure of Truncated Catechol Oxidase From Aspergillus Oryzae, PDB code: 4j3q was solved by N.Hakulinen, C.Gasparetti, H.Kaljunen, J.Rouvinen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.87 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.790, 95.290, 139.470, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 24.8

The binding sites of Copper atom in the Crystal Structure of Truncated Catechol Oxidase From Aspergillus Oryzae (pdb code 4j3q). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Crystal Structure of Truncated Catechol Oxidase From Aspergillus Oryzae, PDB code: 4j3q:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Crystal Structure of Truncated Catechol Oxidase From Aspergillus Oryzae


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 Truncated Catechol Oxidase From Aspergillus Oryzae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1001 b:18.7 occ:1.00 NE2 A:HIS119 2.0 11.9 1.0 NE2 A:HIS102 2.1 10.8 1.0 NE2 A:HIS110 2.1 16.5 1.0 O A:HOH1101 2.5 2.0 1.0 CE1 A:HIS119 2.8 10.3 1.0 CE1 A:HIS110 2.8 15.6 1.0 CE1 A:HIS102 3.0 8.8 1.0 CD2 A:HIS102 3.1 9.6 1.0 CD2 A:HIS119 3.2 10.3 1.0 CD2 A:HIS110 3.3 14.6 1.0 CD1 A:ILE109 3.9 11.6 1.0 ND1 A:HIS119 4.0 10.2 1.0 ND1 A:HIS110 4.0 13.0 1.0 ND1 A:HIS102 4.1 9.2 1.0 CG A:HIS102 4.2 9.9 1.0 CG A:HIS119 4.2 8.6 1.0 CG A:HIS110 4.3 12.3 1.0 CZ A:PHE308 4.3 11.1 1.0 CU A:CU1002 4.3 25.6 1.0 CE2 A:PHE308 4.4 9.9 1.0 NE2 A:HIS312 4.4 18.8 1.0 CZ3 A:TRP118 4.5 2.0 1.0 CG1 A:ILE109 4.6 9.5 1.0 CE1 A:HIS312 4.7 18.6 1.0 OG A:SER302 4.9 18.7 1.0

Copper binding site 2 out of 4 in the Crystal Structure of Truncated Catechol Oxidase From Aspergillus Oryzae


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 Truncated Catechol Oxidase From Aspergillus Oryzae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1002 b:25.6 occ:1.00 NE2 A:HIS312 2.1 18.8 1.0 NE2 A:HIS288 2.1 26.3 1.0 NE2 A:HIS284 2.1 19.3 1.0 O A:HOH1101 2.4 2.0 1.0 CD2 A:HIS284 2.9 16.8 1.0 CE1 A:HIS312 2.9 18.6 1.0 CD2 A:HIS288 3.0 24.9 1.0 CD2 A:HIS312 3.1 17.1 1.0 CE1 A:HIS288 3.1 26.0 1.0 CE1 A:HIS284 3.2 16.8 1.0 CE2 A:PHE308 3.9 9.9 1.0 ND1 A:HIS312 4.0 18.9 1.0 CG A:HIS284 4.1 15.1 1.0 CG A:HIS312 4.1 15.1 1.0 CD2 A:HIS311 4.1 8.7 1.0 CG A:HIS288 4.1 23.4 1.0 ND1 A:HIS284 4.2 16.6 1.0 ND1 A:HIS288 4.2 25.3 1.0 CU A:CU1001 4.3 18.7 1.0 NE2 A:HIS311 4.3 8.7 1.0 CD2 A:PHE308 4.5 11.8 1.0 CZ A:PHE308 4.6 11.1 1.0 NE2 A:HIS119 4.7 11.9 1.0 NE2 A:HIS110 4.9 16.5 1.0 CD2 A:HIS119 4.9 10.3 1.0 OG A:SER302 4.9 18.7 1.0 O A:HIS284 5.0 14.8 1.0

Copper binding site 3 out of 4 in the Crystal Structure of Truncated Catechol Oxidase From Aspergillus Oryzae


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of Truncated Catechol Oxidase From Aspergillus Oryzae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1001 b:19.0 occ:1.00 NE2 B:HIS119 2.0 13.4 1.0 NE2 B:HIS102 2.1 17.6 1.0 NE2 B:HIS110 2.2 22.0 1.0 O B:HOH1101 2.3 8.4 1.0 CE1 B:HIS119 2.8 12.8 1.0 CE1 B:HIS110 2.9 21.5 1.0 CE1 B:HIS102 3.0 17.6 1.0 CD2 B:HIS102 3.1 17.6 1.0 CD2 B:HIS119 3.2 13.3 1.0 CD2 B:HIS110 3.3 18.7 1.0 ND1 B:HIS119 4.0 12.0 1.0 ND1 B:HIS110 4.0 18.1 1.0 CD1 B:ILE109 4.1 12.2 1.0 ND1 B:HIS102 4.1 18.0 1.0 CG B:HIS102 4.2 16.3 1.0 CG B:HIS119 4.2 11.6 1.0 CG B:HIS110 4.3 16.9 1.0 CG1 B:ILE109 4.4 11.4 1.0 CZ B:PHE308 4.4 11.0 1.0 CZ3 B:TRP118 4.4 6.4 1.0 CU B:CU1002 4.4 29.6 1.0 CE2 B:PHE308 4.4 10.8 1.0 NE2 B:HIS312 4.7 19.3 1.0 CE1 B:HIS312 4.9 16.7 1.0

Copper binding site 4 out of 4 in the Crystal Structure of Truncated Catechol Oxidase From Aspergillus Oryzae


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of Truncated Catechol Oxidase From Aspergillus Oryzae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu1002 b:29.6 occ:1.00 NE2 B:HIS312 2.1 19.3 1.0 NE2 B:HIS288 2.1 28.2 1.0 NE2 B:HIS284 2.1 21.1 1.0 O B:HOH1101 2.5 8.4 1.0 CE1 B:HIS312 2.9 16.7 1.0 CE1 B:HIS288 3.0 27.2 1.0 CD2 B:HIS284 3.0 17.2 1.0 CE1 B:HIS284 3.0 18.2 1.0 CD2 B:HIS288 3.1 26.3 1.0 CD2 B:HIS312 3.1 15.0 1.0 CE2 B:PHE308 3.9 10.8 1.0 CD2 B:HIS311 4.1 11.2 1.0 ND1 B:HIS312 4.1 16.0 1.0 ND1 B:HIS284 4.1 16.5 1.0 ND1 B:HIS288 4.1 27.0 1.0 CG B:HIS284 4.1 14.3 1.0 CG B:HIS312 4.2 14.5 1.0 CG B:HIS288 4.2 24.1 1.0 NE2 B:HIS311 4.3 11.2 1.0 CU B:CU1001 4.4 19.0 1.0 NE2 B:HIS119 4.6 13.4 1.0 CD2 B:PHE308 4.6 11.5 1.0 CZ B:PHE308 4.6 11.0 1.0 OG B:SER302 4.8 19.3 1.0 CD2 B:HIS119 4.8 13.3 1.0 NE2 B:HIS110 4.9 22.0 1.0

N.Hakulinen, C.Gasparetti, H.Kaljunen, K.Kruus, J.Rouvinen. The Crystal Structure of An Extracellular Catechol Oxidase From the Ascomycete Fungus Aspergillus Oryzae. J.Biol.Inorg.Chem. V. 18 917 2013.
ISSN: ISSN 0949-8257
PubMed: 24043469
DOI: 10.1007/S00775-013-1038-9