Copper in PDB 4j3p: Crystal Structure of Full-Length Catechol Oxidase From Aspergillus Oryzae

All present enzymatic activity of Crystal Structure of Full-Length Catechol Oxidase From Aspergillus Oryzae:
1.10.3.1;

The structure of Crystal Structure of Full-Length Catechol Oxidase From Aspergillus Oryzae, PDB code: 4j3p 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)	19.54 / 2.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	118.880, 118.880, 84.490, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 24.5

The binding sites of Copper atom in the Crystal Structure of Full-Length Catechol Oxidase From Aspergillus Oryzae (pdb code 4j3p). 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 Full-Length Catechol Oxidase From Aspergillus Oryzae, PDB code: 4j3p:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of Full-Length 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 Full-Length Catechol Oxidase From Aspergillus Oryzae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu2001 b:36.0 occ:1.00 NE2 A:HIS102 1.9 31.4 1.0 O2 A:OXY2003 2.0 29.4 1.0 NE2 A:HIS119 2.0 34.1 1.0 NE2 A:HIS110 2.1 33.3 1.0 O1 A:OXY2003 2.6 33.4 1.0 CE1 A:HIS110 2.7 34.7 1.0 CE1 A:HIS119 2.8 31.2 1.0 CE1 A:HIS102 2.8 27.6 1.0 CD2 A:HIS102 3.0 28.6 1.0 CD2 A:HIS119 3.2 32.3 1.0 CD2 A:HIS110 3.3 35.6 1.0 ND1 A:HIS110 3.9 32.7 1.0 ND1 A:HIS102 4.0 27.9 1.0 ND1 A:HIS119 4.0 34.8 1.0 CD1 A:ILE109 4.1 30.4 1.0 CG A:HIS102 4.1 28.6 1.0 CG A:HIS119 4.2 31.5 1.0 CU A:CU2002 4.2 43.9 1.0 CG A:HIS110 4.3 34.0 1.0 CG1 A:ILE109 4.4 32.0 1.0 CZ A:PHE308 4.4 33.3 1.0 CE2 A:PHE308 4.5 30.2 1.0 CZ3 A:TRP118 4.6 29.5 1.0 NE2 A:HIS312 4.7 31.9 1.0 CE1 A:HIS312 4.8 31.3 1.0 OG A:SER302 4.9 29.9 1.0

Copper binding site 2 out of 2 in the Crystal Structure of Full-Length 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 Full-Length Catechol Oxidase From Aspergillus Oryzae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu2002 b:43.9 occ:1.00 NE2 A:HIS288 1.9 29.6 1.0 NE2 A:HIS312 2.0 31.9 1.0 NE2 A:HIS284 2.1 31.0 1.0 O2 A:OXY2003 2.3 29.4 1.0 O1 A:OXY2003 2.6 33.4 1.0 CE1 A:HIS288 2.7 30.7 1.0 CE1 A:HIS312 2.8 31.3 1.0 CD2 A:HIS288 3.0 30.3 1.0 CE1 A:HIS284 3.0 32.2 1.0 CD2 A:HIS284 3.1 31.2 1.0 CD2 A:HIS312 3.1 32.3 1.0 ND1 A:HIS288 3.9 32.1 1.0 CE2 A:PHE308 3.9 30.2 1.0 ND1 A:HIS312 4.0 30.2 1.0 CG A:HIS288 4.0 32.1 1.0 ND1 A:HIS284 4.1 30.6 1.0 CG A:HIS312 4.2 30.7 1.0 CG A:HIS284 4.2 35.5 1.0 CU A:CU2001 4.2 36.0 1.0 CD2 A:HIS311 4.3 29.4 1.0 NE2 A:HIS119 4.4 34.1 1.0 NE2 A:HIS311 4.5 32.0 1.0 CD2 A:HIS119 4.6 32.3 1.0 CD2 A:PHE308 4.6 30.9 1.0 NE2 A:HIS110 4.7 33.3 1.0 CZ A:PHE308 4.7 33.3 1.0 OG A:SER302 4.8 29.9 1.0 CD2 A:HIS110 5.0 35.6 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