Copper in PDB 4a67: Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant

All present enzymatic activity of Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant:
1.10.3.2;

The structure of Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant, PDB code: 4a67 was solved by C.S.Silva, P.F.Lindley, I.Bento, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.07 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.690, 101.690, 136.830, 90.00, 90.00, 120.00
R / Rfree (%)	18.263 / 21.945

The binding sites of Copper atom in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant (pdb code 4a67). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant, PDB code: 4a67:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1512 b:26.1 occ:1.00 ND1 A:HIS419 2.0 25.3 1.0 ND1 A:HIS497 2.0 24.2 1.0 SG A:CYS492 2.2 27.9 1.0 CE1 A:HIS419 2.8 28.8 1.0 CE1 A:HIS497 3.0 28.9 1.0 CG A:HIS497 3.0 26.3 1.0 CG A:HIS419 3.1 26.6 1.0 CB A:CYS492 3.2 22.1 1.0 SD A:MET502 3.3 27.4 1.0 CB A:HIS497 3.4 24.1 1.0 CB A:HIS419 3.6 26.2 1.0 CD1 A:ILE494 4.0 22.1 1.0 NE2 A:HIS419 4.0 27.9 1.0 CE A:MET502 4.1 25.7 1.0 CB A:ILE494 4.1 23.5 1.0 NE2 A:HIS497 4.1 26.7 1.0 CD2 A:HIS497 4.2 24.7 1.0 CA A:HIS419 4.2 25.6 1.0 CD2 A:HIS419 4.2 29.0 1.0 CG1 A:ILE494 4.5 24.3 1.0 O A:HOH2395 4.6 31.0 1.0 CA A:CYS492 4.6 22.9 1.0 CD A:PRO420 4.7 22.6 1.0 CG2 A:ILE494 4.8 21.5 1.0 CD1 A:LEU386 4.8 32.4 1.0 CA A:HIS497 4.9 26.0 1.0 CG A:MET502 4.9 23.2 1.0 N A:ILE494 4.9 21.9 1.0 O A:THR418 5.0 28.2 1.0

Copper binding site 2 out of 4 in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1513 b:23.9 occ:1.00 NE2 A:HIS153 2.0 21.2 1.0 ND1 A:HIS107 2.0 19.0 1.0 NE2 A:HIS493 2.0 17.8 1.0 O1 A:PER1516 2.6 15.8 1.0 O2 A:PER1516 2.6 19.8 1.0 CE1 A:HIS107 2.8 19.4 1.0 CE1 A:HIS153 2.9 20.6 1.0 CE1 A:HIS493 3.0 19.6 1.0 CD2 A:HIS493 3.0 16.3 1.0 CD2 A:HIS153 3.1 22.9 1.0 CG A:HIS107 3.1 19.8 1.0 CB A:HIS107 3.6 19.6 1.0 CZ2 A:TRP151 3.8 19.4 1.0 CD2 A:HIS105 4.0 18.5 1.0 CU A:CU1515 4.0 30.5 1.0 NE2 A:HIS107 4.0 18.7 1.0 ND1 A:HIS153 4.0 21.1 1.0 ND1 A:HIS493 4.1 18.5 1.0 CG A:HIS153 4.2 19.7 1.0 CE2 A:TRP151 4.2 18.2 1.0 CG A:HIS493 4.2 19.5 1.0 CD2 A:HIS107 4.2 20.6 1.0 NE1 A:TRP151 4.3 18.7 1.0 CB A:ALA297 4.4 20.3 1.0 NE2 A:HIS105 4.4 25.8 1.0 CH2 A:TRP151 4.5 18.4 1.0 CD2 A:HIS422 4.6 24.7 1.0 NE2 A:HIS422 4.6 23.4 1.0 CA A:HIS107 4.7 21.4 1.0 CU A:CU1514 4.7 29.8 1.0

Copper binding site 3 out of 4 in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1514 b:29.8 occ:1.00 NE2 A:HIS424 2.0 27.3 1.0 NE2 A:HIS491 2.0 26.8 1.0 NE2 A:HIS155 2.0 23.4 1.0 O1 A:PER1516 2.3 15.8 1.0 O2 A:PER1516 2.4 19.8 1.0 CD2 A:HIS155 2.9 22.0 1.0 CE1 A:HIS424 2.9 26.1 1.0 CE1 A:HIS491 2.9 22.1 1.0 CD2 A:HIS491 3.0 24.5 1.0 CD2 A:HIS424 3.1 26.4 1.0 CE1 A:HIS155 3.1 24.9 1.0 CU A:CU1515 3.6 30.5 1.0 CD2 A:HIS422 3.9 24.7 1.0 NE2 A:HIS105 4.0 25.8 1.0 ND1 A:HIS491 4.0 24.9 1.0 ND1 A:HIS424 4.0 27.0 1.0 CG A:HIS155 4.1 21.9 1.0 CG A:HIS491 4.1 22.4 1.0 CD2 A:HIS105 4.1 18.5 1.0 CG A:HIS424 4.2 25.4 1.0 ND1 A:HIS155 4.2 25.3 1.0 NE2 A:HIS422 4.4 23.4 1.0 OE2 A:GLU498 4.5 28.0 1.0 CE1 A:HIS105 4.6 25.8 1.0 CU A:CU1513 4.7 23.9 1.0 CG A:HIS105 4.7 23.7 1.0 CD2 A:HIS493 4.9 16.3 1.0 CG1 A:VAL489 4.9 24.6 1.0 OE1 A:GLU498 4.9 24.5 1.0 NE2 A:HIS493 5.0 17.8 1.0 CD A:GLU498 5.0 27.9 1.0

Copper binding site 4 out of 4 in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: D116E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1515 b:30.5 occ:1.00 NE2 A:HIS105 2.0 25.8 1.0 NE2 A:HIS422 2.0 23.4 1.0 O2 A:PER1516 2.1 19.8 1.0 CD2 A:HIS422 2.8 24.7 1.0 CE1 A:HIS105 2.9 25.8 1.0 CD2 A:HIS105 2.9 18.5 1.0 O A:HOH2137 3.1 37.2 1.0 CE1 A:HIS422 3.1 21.4 1.0 CD2 A:HIS424 3.1 26.4 1.0 NE2 A:HIS424 3.3 27.3 1.0 ND1 A:HIS107 3.4 19.0 1.0 O1 A:PER1516 3.5 15.8 1.0 CU A:CU1514 3.6 29.8 1.0 CG A:HIS107 3.7 19.8 1.0 CG A:HIS424 3.8 25.4 1.0 CE1 A:HIS107 3.8 19.4 1.0 CA A:HIS107 3.8 21.4 1.0 CU A:CU1513 4.0 23.9 1.0 ND1 A:HIS105 4.0 25.2 1.0 CG A:HIS422 4.0 23.2 1.0 CG A:HIS105 4.1 23.7 1.0 CE1 A:HIS424 4.1 26.1 1.0 ND1 A:HIS422 4.1 22.2 1.0 CB A:HIS107 4.1 19.6 1.0 CD2 A:HIS107 4.3 20.6 1.0 ND1 A:HIS424 4.3 27.0 1.0 NE2 A:HIS107 4.3 18.7 1.0 N A:GLY108 4.5 22.3 1.0 CA A:HIS424 4.5 24.9 1.0 CB A:HIS424 4.6 26.1 1.0 C A:HIS107 4.7 22.9 1.0 NE2 A:HIS491 4.8 26.8 1.0 N A:HIS107 4.8 21.0 1.0

C.S.Silva, J.M.Damas, Z.Chen, V.Brissos, L.O.Martins, C.M.Soares, P.F.Lindley, I.Bento. The Role of ASP116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism Acta Crystallogr.,Sect.D V. 68 186 2012.
ISSN: ISSN 0907-4449
PubMed: 22281748
DOI: 10.1107/S0907444911054503