Copper in PDB 3zdw: Substrate and Dioxygen Binding to the Endospore Coat Laccase Cota From Bacillus Subtilis

The structure of Substrate and Dioxygen Binding to the Endospore Coat Laccase Cota From Bacillus Subtilis, PDB code: 3zdw was solved by F.J.Enguita, D.Marcal, R.Grenha, P.F.Lindley, M.A.Carrondo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.06 / 2.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.140, 102.140, 136.850, 90.00, 90.00, 120.00
R / Rfree (%)	17.768 / 21.058

The binding sites of Copper atom in the Substrate and Dioxygen Binding to the Endospore Coat Laccase Cota From Bacillus Subtilis (pdb code 3zdw). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Substrate and Dioxygen Binding to the Endospore Coat Laccase Cota From Bacillus Subtilis, PDB code: 3zdw:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Substrate and Dioxygen Binding to the Endospore Coat Laccase Cota From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Substrate and Dioxygen Binding to the Endospore Coat Laccase Cota From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1511 b:16.5 occ:1.00 ND1 A:HIS419 1.9 19.1 1.0 ND1 A:HIS497 2.0 19.4 1.0 SG A:CYS492 2.2 16.1 1.0 CE1 A:HIS419 2.7 17.4 1.0 CE1 A:HIS497 2.9 18.1 1.0 CG A:HIS497 3.0 18.2 1.0 CG A:HIS419 3.1 19.1 1.0 CB A:CYS492 3.2 16.6 1.0 SD A:MET502 3.2 18.8 1.0 CB A:HIS497 3.4 18.3 1.0 CB A:HIS419 3.6 19.0 1.0 CD1 A:ILE494 3.9 15.0 1.0 NE2 A:HIS419 3.9 17.4 1.0 CE A:MET502 4.0 18.6 1.0 CB A:ILE494 4.0 13.2 1.0 NE2 A:HIS497 4.0 19.1 1.0 CD2 A:HIS497 4.1 16.8 1.0 CD2 A:HIS419 4.1 18.6 1.0 CA A:HIS419 4.2 18.5 1.0 CG1 A:ILE494 4.3 14.7 1.0 CA A:CYS492 4.6 15.0 1.0 CD A:PRO420 4.6 16.4 1.0 CG2 A:ILE494 4.8 13.4 1.0 CG A:MET502 4.8 19.7 1.0 CD1 A:LEU386 4.8 28.0 1.0 O A:THR418 4.9 19.9 1.0 CA A:HIS497 4.9 18.4 1.0 N A:ILE494 5.0 13.8 1.0

Copper binding site 2 out of 4 in the Substrate and Dioxygen Binding to the Endospore Coat Laccase Cota From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Substrate and Dioxygen Binding to the Endospore Coat Laccase Cota From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1512 b:18.1 occ:1.00 ND1 A:HIS107 1.9 11.6 1.0 NE2 A:HIS493 2.1 13.0 1.0 NE2 A:HIS153 2.1 13.2 1.0 O1 A:OXY1515 2.6 13.5 1.0 O2 A:OXY1515 2.6 11.3 1.0 CE1 A:HIS107 2.7 12.0 1.0 CE1 A:HIS153 3.0 12.7 1.0 CD2 A:HIS493 3.0 13.6 1.0 CE1 A:HIS493 3.1 13.1 1.0 CG A:HIS107 3.1 11.6 1.0 CD2 A:HIS153 3.2 12.8 1.0 CB A:HIS107 3.6 11.7 1.0 CZ2 A:TRP151 3.8 13.4 1.0 NE2 A:HIS107 3.9 11.1 1.0 CD2 A:HIS105 4.0 14.2 1.0 CU A:CU11514 4.0 18.4 0.7 CD2 A:HIS107 4.1 10.9 1.0 CE2 A:TRP151 4.1 12.3 1.0 ND1 A:HIS153 4.1 12.8 1.0 ND1 A:HIS493 4.2 13.6 1.0 CG A:HIS493 4.2 14.2 1.0 NE1 A:TRP151 4.2 12.2 1.0 O A:HOH2093 4.3 31.1 1.0 CG A:HIS153 4.3 12.1 1.0 NE2 A:HIS105 4.4 13.6 1.0 CB A:ALA297 4.5 13.6 1.0 CH2 A:TRP151 4.5 14.1 1.0 CD2 A:HIS422 4.7 13.7 1.0 NE2 A:HIS422 4.7 13.9 1.0 CA A:HIS107 4.7 11.8 1.0 CU A:CU11513 4.7 13.6 0.8

Copper binding site 3 out of 4 in the Substrate and Dioxygen Binding to the Endospore Coat Laccase Cota From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Substrate and Dioxygen Binding to the Endospore Coat Laccase Cota From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1513 b:13.6 occ:0.80 NE2 A:HIS491 2.0 15.2 1.0 NE2 A:HIS424 2.1 16.1 1.0 NE2 A:HIS155 2.1 17.1 1.0 O2 A:OXY1515 2.3 11.3 1.0 O1 A:OXY1515 2.3 13.5 1.0 CD2 A:HIS491 2.9 16.9 1.0 CE1 A:HIS424 3.0 15.1 1.0 CD2 A:HIS155 3.0 17.2 1.0 CE1 A:HIS491 3.0 15.7 1.0 CD2 A:HIS424 3.1 16.2 1.0 CE1 A:HIS155 3.1 17.9 1.0 CU A:CU11514 3.7 18.4 0.7 O A:HOH2093 3.7 31.1 1.0 CD2 A:HIS422 3.7 13.7 1.0 CG2 A:VAL489 4.0 19.1 1.0 NE2 A:HIS105 4.0 13.6 1.0 CD2 A:HIS105 4.0 14.2 1.0 ND1 A:HIS491 4.0 14.7 1.0 CG A:HIS491 4.1 15.4 1.0 ND1 A:HIS424 4.1 14.1 1.0 NE2 A:HIS422 4.2 13.9 1.0 CG A:HIS155 4.2 15.5 1.0 ND1 A:HIS155 4.2 17.7 1.0 CG A:HIS424 4.2 14.6 1.0 O A:HOH2071 4.5 25.0 1.0 OE2 A:GLU498 4.7 17.3 1.0 CE1 A:HIS105 4.7 14.3 1.0 CU A:CU11512 4.7 18.1 1.0 CG A:HIS105 4.8 13.3 1.0 CD2 A:HIS493 5.0 13.6 1.0

Copper binding site 4 out of 4 in the Substrate and Dioxygen Binding to the Endospore Coat Laccase Cota From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Substrate and Dioxygen Binding to the Endospore Coat Laccase Cota From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1514 b:18.4 occ:0.65 NE2 A:HIS105 1.9 13.6 1.0 NE2 A:HIS422 2.0 13.9 1.0 O1 A:OXY1515 2.5 13.5 1.0 O A:HOH2056 2.7 12.7 1.0 CE1 A:HIS105 2.8 14.3 1.0 CD2 A:HIS105 3.0 14.2 1.0 CE1 A:HIS422 3.0 13.9 1.0 CD2 A:HIS422 3.0 13.7 1.0 NE2 A:HIS424 3.2 16.1 1.0 CD2 A:HIS424 3.2 16.2 1.0 ND1 A:HIS107 3.4 11.6 1.0 CG A:HIS107 3.5 11.6 1.0 CE1 A:HIS107 3.7 12.0 1.0 CU A:CU11513 3.7 13.6 0.8 O2 A:OXY1515 3.7 11.3 1.0 CE1 A:HIS424 3.8 15.1 1.0 CA A:HIS107 3.8 11.8 1.0 CG A:HIS424 3.8 14.6 1.0 ND1 A:HIS105 4.0 13.9 1.0 CD2 A:HIS107 4.0 10.9 1.0 CB A:HIS107 4.0 11.7 1.0 CU A:CU11512 4.0 18.1 1.0 CG A:HIS105 4.1 13.3 1.0 NE2 A:HIS107 4.1 11.1 1.0 ND1 A:HIS422 4.1 13.5 1.0 ND1 A:HIS424 4.1 14.1 1.0 CG A:HIS422 4.1 13.2 1.0 N A:GLY108 4.3 12.9 1.0 C A:HIS107 4.6 12.7 1.0 CA A:HIS424 4.6 13.8 1.0 N A:HIS107 4.7 11.6 1.0 CB A:HIS424 4.8 15.1 1.0 O A:HOH2159 4.8 12.8 1.0 NE2 A:HIS491 4.9 15.2 1.0 O A:HOH2059 5.0 17.4 1.0 O A:LEU106 5.0 12.3 1.0

F.J.Enguita, D.Marcal, L.O.Martins, R.Grenha, A.O.Henriques, P.F.Lindley, M.A.Carrondo. Substrate and Dioxygen Binding to the Endospore Coat Laccase From Bacillus Subtilis. J.Biol.Chem. V. 279 23472 2004.
ISSN: ISSN 0021-9258
PubMed: 14764581
DOI: 10.1074/JBC.M314000200