Copper in PDB 5lwx: Crystal Structure of the H253D Mutant of Mcog From Aspergillus Niger

All present enzymatic activity of Crystal Structure of the H253D Mutant of Mcog From Aspergillus Niger:
1.10.3.2;

The structure of Crystal Structure of the H253D Mutant of Mcog From Aspergillus Niger, PDB code: 5lwx was solved by M.Ferraroni, F.Briganti, J.A.Tamayo-Ramos, W.J.H.Van Berkel, A.H.Westphal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.49
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	200.273, 60.498, 53.744, 90.00, 94.96, 90.00
R / Rfree (%)	17.2 / 19.6

The binding sites of Copper atom in the Crystal Structure of the H253D Mutant of Mcog From Aspergillus Niger (pdb code 5lwx). 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 the H253D Mutant of Mcog From Aspergillus Niger, PDB code: 5lwx:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Crystal Structure of the H253D Mutant of Mcog From Aspergillus Niger


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 the H253D Mutant of Mcog From Aspergillus Niger within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu601 b:26.2 occ:0.75 O1 A:PER618 1.4 38.7 1.0 ND1 A:HIS110 2.0 25.2 1.0 NE2 A:HIS152 2.0 27.3 1.0 NE2 A:HIS517 2.2 28.3 1.0 O2 A:PER618 2.8 27.3 1.0 CE1 A:HIS110 2.9 24.8 1.0 CD2 A:HIS152 3.0 24.8 1.0 CE1 A:HIS152 3.0 26.1 1.0 CG A:HIS110 3.1 24.6 1.0 CD2 A:HIS517 3.2 27.6 1.0 CE1 A:HIS517 3.2 27.7 1.0 CB A:HIS110 3.5 24.6 1.0 CZ2 A:TRP150 3.9 24.9 1.0 NE2 A:HIS110 4.0 26.4 1.0 CE2 A:TRP150 4.1 24.4 1.0 ND1 A:HIS152 4.1 24.3 1.0 CG A:HIS152 4.1 24.9 1.0 CD2 A:HIS110 4.1 25.9 1.0 CU A:CU603 4.1 29.6 0.8 NE1 A:TRP150 4.1 24.6 1.0 CD2 A:HIS108 4.2 25.2 1.0 O A:HOH1164 4.3 45.2 1.0 ND1 A:HIS517 4.3 29.4 1.0 CG A:HIS517 4.3 28.2 1.0 CD2 A:HIS451 4.3 26.1 1.0 NE2 A:HIS451 4.4 26.8 1.0 CA A:HIS110 4.6 23.8 1.0 CH2 A:TRP150 4.6 24.1 1.0 NE2 A:HIS108 4.7 25.9 1.0 CU A:CU602 4.9 30.0 1.0

Copper binding site 2 out of 4 in the Crystal Structure of the H253D Mutant of Mcog From Aspergillus Niger


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 the H253D Mutant of Mcog From Aspergillus Niger within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:30.0 occ:1.00 NE2 A:HIS453 2.0 25.6 1.0 NE2 A:HIS515 2.0 27.8 1.0 NE2 A:HIS154 2.1 33.4 1.0 O2 A:PER618 2.2 27.3 1.0 CE1 A:HIS453 2.9 27.1 1.0 CE1 A:HIS515 2.9 28.3 1.0 CD2 A:HIS515 3.0 27.1 1.0 CD2 A:HIS154 3.0 30.9 1.0 CE1 A:HIS154 3.1 35.8 1.0 CD2 A:HIS453 3.1 26.8 1.0 O1 A:PER618 3.5 38.7 1.0 CD2 A:HIS451 3.7 26.1 1.0 CD2 A:LEU513 3.9 28.6 1.0 CU A:CU603 3.9 29.6 0.8 ND1 A:HIS515 4.0 26.8 1.0 ND1 A:HIS453 4.1 25.9 1.0 CG A:HIS515 4.1 25.4 1.0 O A:HOH1164 4.2 45.2 1.0 CG A:HIS154 4.2 31.1 1.0 ND1 A:HIS154 4.2 35.8 1.0 CG A:HIS453 4.2 25.1 1.0 NE2 A:HIS451 4.3 26.8 1.0 CD2 A:HIS108 4.3 25.2 1.0 NE2 A:HIS108 4.4 25.9 1.0 CB A:LEU513 4.7 26.9 1.0 CG A:LEU513 4.8 27.2 1.0 O A:HOH1227 4.8 54.3 1.0 CG A:HIS451 4.8 24.4 1.0 CU A:CU601 4.9 26.2 0.8 CE1 A:HIS152 5.0 26.1 1.0

Copper binding site 3 out of 4 in the Crystal Structure of the H253D Mutant of Mcog From Aspergillus Niger


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 the H253D Mutant of Mcog From Aspergillus Niger within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu603 b:29.6 occ:0.75 NE2 A:HIS451 1.9 26.8 1.0 NE2 A:HIS108 1.9 25.9 1.0 CD2 A:HIS451 2.8 26.1 1.0 O A:HOH897 2.8 25.8 1.0 CD2 A:HIS108 2.9 25.2 1.0 CE1 A:HIS108 2.9 26.1 1.0 CE1 A:HIS451 2.9 26.3 1.0 NE2 A:HIS453 3.2 25.6 1.0 O1 A:PER618 3.2 38.7 1.0 CD2 A:HIS453 3.3 26.8 1.0 O2 A:PER618 3.5 27.3 1.0 CE1 A:HIS453 3.6 27.1 1.0 CG A:HIS453 3.7 25.1 1.0 ND1 A:HIS110 3.7 25.2 1.0 CA A:HIS110 3.8 23.8 1.0 CG A:HIS110 3.8 24.6 1.0 CU A:CU602 3.9 30.0 1.0 ND1 A:HIS453 3.9 25.9 1.0 CG A:HIS451 4.0 24.4 1.0 ND1 A:HIS451 4.0 25.2 1.0 ND1 A:HIS108 4.0 25.0 1.0 CG A:HIS108 4.0 25.0 1.0 N A:GLY111 4.1 23.8 1.0 CB A:HIS110 4.1 24.6 1.0 CU A:CU601 4.1 26.2 0.8 CE1 A:HIS110 4.2 24.8 1.0 CD2 A:HIS110 4.3 25.9 1.0 C A:HIS110 4.5 22.9 1.0 NE2 A:HIS110 4.5 26.4 1.0 CA A:HIS453 4.7 23.9 1.0 CB A:HIS453 4.7 24.9 1.0 N A:HIS110 4.8 24.6 1.0 O A:HOH855 4.8 28.5 1.0 O A:PHE109 4.9 24.2 1.0 N A:HIS453 5.0 23.6 1.0

Copper binding site 4 out of 4 in the Crystal Structure of the H253D Mutant of Mcog From Aspergillus Niger


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 the H253D Mutant of Mcog From Aspergillus Niger within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu604 b:26.8 occ:1.00 ND1 A:HIS521 2.0 26.0 1.0 ND1 A:HIS448 2.1 28.3 1.0 SG A:CYS516 2.2 25.7 1.0 CE1 A:HIS448 3.0 29.5 1.0 CE1 A:HIS521 3.0 27.0 1.0 CG A:HIS521 3.0 25.5 1.0 CG A:HIS448 3.1 26.6 1.0 CB A:CYS516 3.2 25.8 1.0 CB A:HIS521 3.3 26.1 1.0 CD1 A:ILE518 3.4 28.2 1.0 CB A:HIS448 3.5 24.6 1.0 CE2 A:PHE526 3.6 26.1 1.0 CD2 A:PHE526 3.6 25.6 1.0 CB A:ILE518 3.9 24.5 1.0 CG1 A:ILE518 3.9 24.6 1.0 NE2 A:HIS521 4.1 26.9 1.0 NE2 A:HIS448 4.1 26.0 1.0 CD2 A:HIS521 4.1 27.2 1.0 CD2 A:HIS448 4.2 27.1 1.0 CA A:HIS448 4.3 27.3 1.0 CZ A:PHE526 4.5 25.5 1.0 CG A:PHE526 4.6 25.2 1.0 CA A:CYS516 4.6 26.2 1.0 CG2 A:ILE518 4.7 24.5 1.0 CD A:PRO449 4.8 26.8 1.0 N A:ILE518 4.8 26.7 1.0 CA A:HIS521 4.9 26.6 1.0 O A:PRO447 4.9 27.6 1.0 CA A:ILE518 4.9 26.0 1.0

M.Ferraroni, A.H.Westphal, M.Borsari, J.A.Tamayo-Ramos, F.Briganti, L.H.De Graaff, W.J.H.Van Berkel. Structure and Function of Aspergillus Niger Laccase Mcog Biocatalysis 2017.
ISSN: ESSN 2353-1746
DOI: 10.1515/BOCA-2017-0001