Copper in PDB 4akq: Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498D Mutant

All present enzymatic activity of Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498D Mutant:
1.10.3.2;

The structure of Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498D Mutant, PDB code: 4akq 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)	40.82 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.833, 101.833, 136.565, 90.00, 90.00, 120.00
R / Rfree (%)	17.732 / 20.623

The binding sites of Copper atom in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498D Mutant (pdb code 4akq). 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: E498D Mutant, PDB code: 4akq:
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: E498D 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: E498D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu601 b:27.7 occ:0.70 ND1 A:HIS419 2.0 28.4 1.0 ND1 A:HIS497 2.0 27.3 1.0 SG A:CYS492 2.3 24.6 1.0 CE1 A:HIS419 2.7 28.8 1.0 CE1 A:HIS497 2.9 27.4 1.0 CG A:HIS497 3.1 25.8 1.0 CG A:HIS419 3.2 27.2 1.0 CB A:CYS492 3.4 21.4 1.0 SD A:MET502 3.5 24.7 1.0 CB A:HIS497 3.5 25.0 1.0 CB A:HIS419 3.8 26.4 1.0 NE2 A:HIS419 4.0 29.1 1.0 CD1 A:ILE494 4.0 21.0 1.0 CB A:ILE494 4.0 21.0 1.0 NE2 A:HIS497 4.1 27.2 1.0 CD2 A:HIS497 4.2 26.5 1.0 CD2 A:HIS419 4.2 28.3 1.0 CA A:HIS419 4.3 26.0 1.0 CE A:MET502 4.4 24.9 1.0 CG1 A:ILE494 4.4 20.6 1.0 O A:HOH2412 4.5 39.6 1.0 CD A:PRO420 4.7 23.8 1.0 CG2 A:ILE494 4.7 20.5 1.0 CA A:CYS492 4.8 21.6 1.0 N A:ILE494 5.0 20.6 1.0 O A:THR418 5.0 27.8 1.0

Copper binding site 2 out of 4 in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498D 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: E498D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:20.2 occ:1.00 ND1 A:HIS107 2.0 17.3 1.0 NE2 A:HIS153 2.0 17.9 1.0 NE2 A:HIS493 2.0 19.3 1.0 O2 A:OXY605 2.7 22.5 1.0 O1 A:OXY605 2.7 22.9 1.0 CE1 A:HIS107 2.9 16.5 1.0 CE1 A:HIS153 2.9 17.5 1.0 CE1 A:HIS493 2.9 19.2 1.0 CD2 A:HIS153 3.0 16.5 1.0 CD2 A:HIS493 3.0 19.4 1.0 CG A:HIS107 3.1 16.6 1.0 CB A:HIS107 3.5 16.4 1.0 CZ2 A:TRP151 3.8 15.1 1.0 NE2 A:HIS107 4.0 16.3 1.0 ND1 A:HIS153 4.1 16.7 1.0 CD2 A:HIS105 4.1 15.7 1.0 ND1 A:HIS493 4.1 19.3 1.0 CU A:CU604 4.1 22.2 1.0 CD2 A:HIS107 4.1 16.3 1.0 CG A:HIS153 4.1 16.3 1.0 CG A:HIS493 4.2 19.7 1.0 CE2 A:TRP151 4.2 15.1 1.0 NE1 A:TRP151 4.3 14.4 1.0 CB A:ALA297 4.4 17.7 1.0 NE2 A:HIS105 4.5 17.2 1.0 CD2 A:HIS422 4.5 17.2 1.0 CH2 A:TRP151 4.6 15.4 1.0 NE2 A:HIS422 4.6 18.8 1.0 CA A:HIS107 4.6 16.3 1.0 CU A:CU603 4.8 21.8 1.0

Copper binding site 3 out of 4 in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498D 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: E498D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu603 b:21.8 occ:1.00 NE2 A:HIS424 2.0 19.9 1.0 NE2 A:HIS491 2.0 20.9 1.0 NE2 A:HIS155 2.0 21.5 1.0 O1 A:OXY605 2.2 22.9 1.0 O2 A:OXY605 2.2 22.5 1.0 CE1 A:HIS424 2.9 19.6 1.0 CD2 A:HIS491 2.9 20.0 1.0 CE1 A:HIS491 3.0 19.8 1.0 CD2 A:HIS155 3.0 20.8 1.0 CE1 A:HIS155 3.0 21.4 1.0 CD2 A:HIS424 3.1 18.5 1.0 CU A:CU604 3.8 22.2 1.0 CD2 A:HIS422 3.8 17.2 1.0 CG2 A:VAL489 4.0 20.2 1.0 ND1 A:HIS424 4.0 18.9 1.0 ND1 A:HIS491 4.0 19.5 1.0 CG A:HIS491 4.1 20.2 1.0 CD2 A:HIS105 4.1 15.7 1.0 ND1 A:HIS155 4.1 21.1 1.0 CG A:HIS155 4.1 19.7 1.0 NE2 A:HIS105 4.1 17.2 1.0 CG A:HIS424 4.2 18.4 1.0 NE2 A:HIS422 4.3 18.8 1.0 O A:HOH2177 4.7 34.0 1.0 CU A:CU602 4.8 20.2 1.0 CG A:HIS105 4.8 15.9 1.0 CE1 A:HIS105 4.8 16.5 1.0 CD2 A:HIS493 5.0 19.4 1.0 NE2 A:HIS493 5.0 19.3 1.0

Copper binding site 4 out of 4 in the Mutations in the Neighbourhood of Cota-Laccase Trinuclear Site: E498D 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: E498D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu604 b:22.2 occ:1.00 NE2 A:HIS422 2.0 18.8 1.0 NE2 A:HIS105 2.0 17.2 1.0 O1 A:OXY605 2.7 22.9 1.0 CD2 A:HIS422 2.9 17.2 1.0 CE1 A:HIS105 2.9 16.5 1.0 O A:HOH2156 3.0 18.8 1.0 CD2 A:HIS105 3.0 15.7 1.0 CE1 A:HIS422 3.0 18.2 1.0 NE2 A:HIS424 3.2 19.9 1.0 CD2 A:HIS424 3.2 18.5 1.0 ND1 A:HIS107 3.4 17.3 1.0 CG A:HIS107 3.6 16.6 1.0 CE1 A:HIS424 3.7 19.6 1.0 O2 A:OXY605 3.7 22.5 1.0 CA A:HIS107 3.8 16.3 1.0 CG A:HIS424 3.8 18.4 1.0 CE1 A:HIS107 3.8 16.5 1.0 CU A:CU603 3.8 21.8 1.0 ND1 A:HIS105 4.0 15.6 1.0 ND1 A:HIS424 4.0 18.9 1.0 CB A:HIS107 4.0 16.4 1.0 CG A:HIS422 4.1 17.9 1.0 ND1 A:HIS422 4.1 18.2 1.0 CU A:CU602 4.1 20.2 1.0 CG A:HIS105 4.1 15.9 1.0 CD2 A:HIS107 4.1 16.3 1.0 NE2 A:HIS107 4.2 16.3 1.0 N A:GLY108 4.2 16.7 1.0 CA A:HIS424 4.5 18.6 1.0 C A:HIS107 4.5 16.6 1.0 CB A:HIS424 4.7 18.5 1.0 N A:HIS107 4.7 15.8 1.0 O A:HOH2159 4.8 18.9 1.0 O A:HOH2413 4.8 17.6 1.0 O A:LEU106 4.9 15.9 1.0 NE2 A:HIS491 5.0 20.9 1.0 N A:HIS424 5.0 18.2 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