Copper in PDB 4ako: Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498L Mutant

All present enzymatic activity of Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498L Mutant:
1.10.3.2;

The structure of Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498L Mutant, PDB code: 4ako was solved by C.S.Silva, Z.Chen, P.Durao, M.M.Pereira, S.Todorovic, P.Hildebrandt, L.O.Martins, P.F.Lindley, I.Bento, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.72 / 1.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.575, 101.575, 136.285, 90.00, 90.00, 120.00
R / Rfree (%)	17.532 / 19.375

The binding sites of Copper atom in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498L Mutant (pdb code 4ako). 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: E498L Mutant, PDB code: 4ako:
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: E498L 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: E498L Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu601 b:15.2 occ:1.00 ND1 A:HIS497 2.0 15.5 1.0 ND1 A:HIS419 2.0 14.5 1.0 SG A:CYS492 2.3 13.4 1.0 CE1 A:HIS419 2.9 15.3 1.0 CE1 A:HIS497 3.0 15.9 1.0 CG A:HIS497 3.0 14.0 1.0 CG A:HIS419 3.1 15.0 1.0 SD A:MET502 3.2 14.7 1.0 CB A:CYS492 3.3 12.4 1.0 CB A:HIS497 3.4 13.4 1.0 CB A:HIS419 3.5 15.2 1.0 CD1 A:ILE494 3.9 14.0 1.0 CE A:MET502 3.9 16.4 1.0 NE2 A:HIS419 4.0 15.4 1.0 CB A:ILE494 4.1 11.6 1.0 NE2 A:HIS497 4.1 15.7 1.0 CA A:HIS419 4.1 15.2 1.0 CD2 A:HIS497 4.1 14.7 1.0 CD2 A:HIS419 4.2 15.0 1.0 CG1 A:ILE494 4.4 11.6 1.0 CD2 A:LEU386 4.4 20.6 0.5 O A:HOH2497 4.7 23.2 1.0 CA A:CYS492 4.7 12.5 1.0 CD A:PRO420 4.7 13.8 1.0 CG A:MET502 4.8 14.2 1.0 CA A:HIS497 4.9 13.1 1.0 CG2 A:ILE494 4.9 11.9 1.0 CD1 A:LEU386 4.9 20.0 0.5 O A:THR418 4.9 16.8 1.0 N A:ILE494 4.9 11.8 1.0

Copper binding site 2 out of 4 in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498L 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: E498L Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:15.7 occ:0.80 ND1 A:HIS107 2.0 15.3 1.0 NE2 A:HIS153 2.0 12.1 1.0 NE2 A:HIS493 2.0 15.2 1.0 O1 A:OXY605 2.5 8.2 0.8 O2 A:OXY605 2.7 9.4 0.8 CE1 A:HIS107 2.9 14.9 1.0 CE1 A:HIS153 2.9 11.5 1.0 CE1 A:HIS493 3.0 13.5 1.0 CD2 A:HIS493 3.0 14.7 1.0 CD2 A:HIS153 3.0 11.5 1.0 CG A:HIS107 3.1 12.8 1.0 CB A:HIS107 3.5 11.7 1.0 CZ2 A:TRP151 3.8 10.6 1.0 CD2 A:HIS105 4.0 12.6 1.0 NE2 A:HIS107 4.0 15.7 1.0 ND1 A:HIS153 4.1 10.8 1.0 ND1 A:HIS493 4.1 14.6 1.0 CU A:CU604 4.1 16.3 0.3 CD2 A:HIS107 4.1 14.9 1.0 CG A:HIS153 4.2 10.2 1.0 CE2 A:TRP151 4.2 10.2 1.0 CG A:HIS493 4.2 12.8 1.0 NE1 A:TRP151 4.3 10.4 1.0 CB A:ALA297 4.4 10.6 1.0 CH2 A:TRP151 4.5 10.7 1.0 CD2 A:HIS422 4.6 15.0 1.0 NE2 A:HIS105 4.6 13.3 1.0 CA A:HIS107 4.6 11.2 1.0 NE2 A:HIS422 4.8 16.2 1.0 CU A:CU603 4.8 12.7 0.8

Copper binding site 3 out of 4 in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498L 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: E498L Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu603 b:12.7 occ:0.80 NE2 A:HIS491 2.0 13.9 1.0 NE2 A:HIS424 2.0 14.2 1.0 NE2 A:HIS155 2.0 13.8 1.0 O1 A:OXY605 2.4 8.2 0.8 O2 A:OXY605 2.4 9.4 0.8 CE1 A:HIS424 2.9 13.5 1.0 CD2 A:HIS491 2.9 13.4 1.0 CD2 A:HIS155 2.9 13.4 1.0 CE1 A:HIS491 3.0 13.4 1.0 CE1 A:HIS155 3.1 14.1 1.0 CD2 A:HIS424 3.1 13.1 1.0 CU A:CU604 3.8 16.3 0.3 CD2 A:HIS422 3.9 15.0 1.0 CG2 A:VAL489 4.0 11.8 0.7 ND1 A:HIS491 4.0 13.0 1.0 ND1 A:HIS424 4.0 12.6 1.0 CG A:HIS491 4.0 12.6 1.0 CD2 A:HIS105 4.1 12.6 1.0 CG A:HIS155 4.1 11.9 1.0 ND1 A:HIS155 4.1 14.2 1.0 CG A:HIS424 4.2 12.3 1.0 NE2 A:HIS105 4.3 13.3 1.0 O A:HOH2217 4.4 19.6 1.0 NE2 A:HIS422 4.5 16.2 1.0 CG A:HIS105 4.7 11.1 1.0 CU A:CU602 4.8 15.7 0.8 CE1 A:HIS105 5.0 12.2 1.0

Copper binding site 4 out of 4 in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498L 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: E498L Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu604 b:16.3 occ:0.30 NE2 A:HIS422 1.9 16.2 1.0 NE2 A:HIS105 2.0 13.3 1.0 CD2 A:HIS422 2.7 15.0 1.0 CD2 A:HIS105 2.8 12.6 1.0 O1 A:OXY605 2.9 8.2 0.8 O A:HOH2189 2.9 15.6 1.0 CE1 A:HIS105 3.0 12.2 1.0 CE1 A:HIS422 3.1 15.5 1.0 NE2 A:HIS424 3.1 14.2 1.0 CD2 A:HIS424 3.2 13.1 1.0 ND1 A:HIS107 3.5 15.3 1.0 CE1 A:HIS424 3.6 13.5 1.0 CG A:HIS107 3.7 12.8 1.0 CG A:HIS424 3.8 12.3 1.0 CU A:CU603 3.8 12.7 0.8 CA A:HIS107 3.8 11.2 1.0 CE1 A:HIS107 3.8 14.9 1.0 CG A:HIS422 3.9 14.0 1.0 O2 A:OXY605 3.9 9.4 0.8 ND1 A:HIS424 4.0 12.6 1.0 CG A:HIS105 4.0 11.1 1.0 ND1 A:HIS105 4.0 12.2 1.0 ND1 A:HIS422 4.1 15.1 1.0 CB A:HIS107 4.1 11.7 1.0 CU A:CU602 4.1 15.7 0.8 CD2 A:HIS107 4.2 14.9 1.0 NE2 A:HIS107 4.3 15.7 1.0 N A:GLY108 4.3 12.0 1.0 CA A:HIS424 4.6 12.1 1.0 C A:HIS107 4.6 11.8 1.0 CB A:HIS424 4.7 12.3 1.0 N A:HIS107 4.8 10.5 1.0 O A:HOH2200 4.8 14.4 1.0 NE2 A:HIS491 4.9 13.9 1.0 O A:LEU106 4.9 10.2 1.0 O A:HOH2498 5.0 14.0 1.0

Z.Chen, P.Durao, C.S.Silva, M.M.Pereira, S.Todorovic, P.Hildebrandt, I.Bento, P.F.Lindley, L.O.Martins. The Role of GLU498 in the Dioxygen Reactivity of Cota- Laccase From Bacillus Subtilis. Dalton Trans V. 39 2875 2010.
ISSN: ISSN 1477-9226
PubMed: 20200715
DOI: 10.1039/B922734B