Copper in PDB 4q8b: The Crystal Structure of Cota Laccase Complexed with Sinapic Acid

The structure of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid, PDB code: 4q8b was solved by T.Xie, Z.C.Liu, G.G.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.81 / 1.91
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.278, 116.612, 81.099, 90.00, 99.32, 90.00
R / Rfree (%)	13.9 / 18.6

The structure of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	5 atoms

The binding sites of Copper atom in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid (pdb code 4q8b). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 8 binding sites of Copper where determined in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid, PDB code: 4q8b:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Copper binding site 1 out of 8 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu601 b:20.0 occ:1.00 ND1 A:HIS419 2.1 25.0 1.0 ND1 A:HIS497 2.1 19.4 1.0 SG A:CYS492 2.2 18.7 1.0 CE1 A:HIS419 3.1 26.1 1.0 CE1 A:HIS497 3.1 19.3 1.0 CG A:HIS497 3.1 18.7 1.0 CG A:HIS419 3.1 21.8 1.0 CB A:CYS492 3.3 18.5 1.0 SD A:MET502 3.4 20.9 1.0 CB A:HIS497 3.4 17.9 1.0 CB A:HIS419 3.5 20.6 1.0 CD1 A:ILE494 3.8 19.1 1.0 CA A:HIS419 4.0 20.0 1.0 CB A:ILE494 4.1 16.3 1.0 CE A:MET502 4.2 23.1 1.0 NE2 A:HIS419 4.2 23.8 1.0 NE2 A:HIS497 4.2 20.3 1.0 CD2 A:HIS497 4.2 19.8 1.0 CD2 A:HIS419 4.3 23.3 1.0 CG1 A:ILE494 4.4 18.3 1.0 O A:HOH902 4.4 29.9 1.0 CD1 A:LEU386 4.4 28.8 1.0 CD A:PRO420 4.6 18.1 1.0 CA A:CYS492 4.7 18.0 1.0 O A:THR418 4.7 21.3 1.0 CG2 A:ILE494 4.8 17.5 1.0 CG A:MET502 4.8 19.9 1.0 CA A:HIS497 4.9 17.4 1.0 N A:ILE494 4.9 16.0 1.0

Copper binding site 2 out of 8 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:18.0 occ:0.72 NE2 A:HIS422 1.9 15.1 1.0 NE2 A:HIS105 1.9 16.7 1.0 O2 A:OXY605 2.5 15.9 1.0 CD2 A:HIS422 2.8 15.3 1.0 CD2 A:HIS105 2.8 15.7 1.0 CE1 A:HIS105 2.9 16.1 1.0 CE1 A:HIS422 3.0 14.3 1.0 O A:HOH741 3.0 17.9 1.0 NE2 A:HIS424 3.2 17.6 1.0 CD2 A:HIS424 3.3 16.1 1.0 ND1 A:HIS107 3.5 14.4 1.0 O1 A:OXY605 3.6 15.9 1.0 CG A:HIS107 3.7 13.1 1.0 CE1 A:HIS424 3.7 17.2 1.0 CU A:CU603 3.7 17.6 0.8 CA A:HIS107 3.8 13.5 1.0 CG A:HIS424 3.8 16.7 1.0 CE1 A:HIS107 3.9 14.2 1.0 CG A:HIS422 3.9 15.4 1.0 CG A:HIS105 4.0 16.7 1.0 ND1 A:HIS424 4.0 16.7 1.0 ND1 A:HIS105 4.0 18.9 1.0 CB A:HIS107 4.0 14.1 1.0 ND1 A:HIS422 4.0 14.8 1.0 CU A:CU604 4.1 17.8 1.0 CD2 A:HIS107 4.1 14.8 1.0 N A:GLY108 4.2 15.7 1.0 NE2 A:HIS107 4.2 14.8 1.0 C A:HIS107 4.5 14.1 1.0 CA A:HIS424 4.6 16.4 1.0 CB A:HIS424 4.7 16.3 1.0 N A:HIS107 4.7 13.2 1.0 O A:HOH767 4.8 18.9 1.0 O A:LEU106 4.8 13.6 1.0 NE2 A:HIS491 4.9 16.8 1.0

Copper binding site 3 out of 8 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu603 b:17.6 occ:0.75 NE2 A:HIS491 2.0 16.8 1.0 NE2 A:HIS424 2.0 17.6 1.0 NE2 A:HIS155 2.0 20.6 1.0 O1 A:OXY605 2.3 15.9 1.0 O2 A:OXY605 2.4 15.9 1.0 CE1 A:HIS491 2.9 16.8 1.0 CE1 A:HIS424 2.9 17.2 1.0 CD2 A:HIS491 3.0 16.8 1.0 CD2 A:HIS155 3.0 19.6 1.0 CE1 A:HIS155 3.0 20.6 1.0 CD2 A:HIS424 3.1 16.1 1.0 O A:HOH1144 3.7 36.6 1.0 CU A:CU602 3.7 18.0 0.7 CD2 A:HIS422 3.8 15.3 1.0 ND1 A:HIS491 4.0 17.9 1.0 ND1 A:HIS424 4.0 16.7 1.0 CG A:HIS491 4.1 16.6 1.0 CG2 A:VAL489 4.1 19.2 1.0 CD2 A:HIS105 4.1 15.7 1.0 ND1 A:HIS155 4.1 21.3 1.0 NE2 A:HIS105 4.2 16.7 1.0 CG A:HIS155 4.2 19.3 1.0 CG A:HIS424 4.2 16.7 1.0 NE2 A:HIS422 4.4 15.1 1.0 OE2 A:GLU498 4.6 22.8 1.0 O A:HOH978 4.6 28.4 1.0 CG A:HIS105 4.7 16.7 1.0 CU A:CU604 4.8 17.8 1.0 CE1 A:HIS105 4.9 16.1 1.0

Copper binding site 4 out of 8 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu604 b:17.8 occ:1.00 NE2 A:HIS153 2.0 13.8 1.0 ND1 A:HIS107 2.0 14.4 1.0 NE2 A:HIS493 2.2 14.0 1.0 O2 A:OXY605 2.6 15.9 1.0 O1 A:OXY605 2.6 15.9 1.0 CE1 A:HIS153 2.9 13.9 1.0 CD2 A:HIS153 3.0 12.8 1.0 CE1 A:HIS107 3.0 14.2 1.0 CG A:HIS107 3.1 13.1 1.0 CD2 A:HIS493 3.1 14.7 1.0 CE1 A:HIS493 3.2 14.5 1.0 CB A:HIS107 3.4 14.1 1.0 CZ2 A:TRP151 3.8 14.6 1.0 ND1 A:HIS153 4.0 14.0 1.0 O A:HOH1144 4.0 36.6 1.0 CG A:HIS153 4.1 12.5 1.0 NE2 A:HIS107 4.1 14.8 1.0 CE2 A:TRP151 4.1 15.1 1.0 CU A:CU602 4.1 18.0 0.7 CD2 A:HIS105 4.1 15.7 1.0 CD2 A:HIS107 4.2 14.8 1.0 ND1 A:HIS493 4.2 14.8 1.0 NE1 A:TRP151 4.3 16.2 1.0 CG A:HIS493 4.3 15.0 1.0 CB A:ALA297 4.4 16.6 1.0 CH2 A:TRP151 4.4 14.8 1.0 CD2 A:HIS422 4.5 15.3 1.0 CA A:HIS107 4.6 13.5 1.0 NE2 A:HIS422 4.6 15.1 1.0 NE2 A:HIS105 4.7 16.7 1.0 CU A:CU603 4.8 17.6 0.8

Copper binding site 5 out of 8 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu601 b:18.6 occ:1.00 ND1 B:HIS419 2.0 18.5 1.0 ND1 B:HIS497 2.0 16.3 1.0 SG B:CYS492 2.2 15.5 1.0 CE1 B:HIS419 2.9 19.5 1.0 CG B:HIS497 3.0 15.6 1.0 CE1 B:HIS497 3.0 16.5 1.0 CG B:HIS419 3.1 17.3 1.0 CB B:CYS492 3.2 15.1 1.0 SD B:MET502 3.3 17.5 1.0 CB B:HIS497 3.3 15.1 1.0 CB B:HIS419 3.5 16.1 1.0 CD1 B:ILE494 3.8 18.5 1.0 CB B:ILE494 4.0 15.9 1.0 CA B:HIS419 4.0 16.2 1.0 NE2 B:HIS419 4.1 18.8 1.0 NE2 B:HIS497 4.1 16.1 1.0 CE B:MET502 4.1 21.0 1.0 CD2 B:HIS497 4.2 17.1 1.0 CD2 B:HIS419 4.2 18.9 1.0 CG1 B:ILE494 4.3 16.9 1.0 CA B:CYS492 4.6 15.5 1.0 O B:HOH774 4.7 29.3 1.0 CD B:PRO420 4.7 16.5 1.0 CG2 B:ILE494 4.8 15.4 1.0 CG B:MET502 4.8 17.6 1.0 O B:THR418 4.8 17.4 1.0 N B:ILE494 4.9 15.7 1.0 CA B:HIS497 4.9 15.9 1.0

Copper binding site 6 out of 8 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu602 b:17.2 occ:0.60 NE2 B:HIS105 1.8 17.1 1.0 NE2 B:HIS422 1.9 17.2 1.0 CE1 B:HIS105 2.8 18.3 1.0 CD2 B:HIS422 2.8 17.2 1.0 CD2 B:HIS105 2.8 16.9 1.0 O B:HOH721 2.9 21.2 1.0 CE1 B:HIS422 3.0 17.8 1.0 O B:HOH701 3.1 8.5 1.0 NE2 B:HIS424 3.2 18.4 1.0 CD2 B:HIS424 3.3 17.9 1.0 ND1 B:HIS107 3.5 16.8 1.0 CG B:HIS107 3.7 16.6 1.0 CU B:CU603 3.7 17.8 0.7 CA B:HIS107 3.7 14.8 1.0 CE1 B:HIS424 3.8 18.8 1.0 ND1 B:HIS105 3.8 17.3 1.0 CG B:HIS424 3.8 17.9 1.0 CG B:HIS105 3.9 15.9 1.0 CE1 B:HIS107 4.0 16.2 1.0 CG B:HIS422 4.0 16.6 1.0 CB B:HIS107 4.0 15.1 1.0 ND1 B:HIS422 4.0 17.1 1.0 ND1 B:HIS424 4.1 17.1 1.0 CU B:CU604 4.1 17.8 0.9 CD2 B:HIS107 4.2 16.3 1.0 N B:GLY108 4.2 17.1 1.0 NE2 B:HIS107 4.3 16.7 1.0 C B:HIS107 4.5 16.4 1.0 CA B:HIS424 4.6 17.7 1.0 N B:HIS107 4.7 14.4 1.0 CB B:HIS424 4.8 17.3 1.0 O B:HOH753 4.8 19.6 1.0 O B:LEU106 4.8 15.1 1.0 NE2 B:HIS491 4.9 18.8 1.0 O B:HOH754 5.0 18.9 1.0

Copper binding site 7 out of 8 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu603 b:17.8 occ:0.70 NE2 B:HIS491 2.0 18.8 1.0 NE2 B:HIS424 2.0 18.4 1.0 NE2 B:HIS155 2.2 22.9 1.0 O B:HOH701 2.2 8.5 1.0 CE1 B:HIS424 2.9 18.8 1.0 CE1 B:HIS491 3.0 18.5 1.0 CD2 B:HIS155 3.0 21.7 1.0 CD2 B:HIS491 3.0 18.2 1.0 CD2 B:HIS424 3.1 17.9 1.0 CE1 B:HIS155 3.3 21.9 1.0 CU B:CU602 3.7 17.2 0.6 CD2 B:HIS422 3.8 17.2 1.0 O B:HOH1142 3.9 37.6 1.0 CD2 B:HIS105 4.0 16.9 1.0 ND1 B:HIS491 4.1 17.4 1.0 ND1 B:HIS424 4.1 17.1 1.0 NE2 B:HIS105 4.1 17.1 1.0 CG B:HIS491 4.1 17.0 1.0 CG2 B:VAL489 4.1 22.5 1.0 CG B:HIS155 4.2 19.7 1.0 CG B:HIS424 4.2 17.9 1.0 NE2 B:HIS422 4.3 17.2 1.0 ND1 B:HIS155 4.3 20.5 1.0 OE2 B:GLU498 4.6 27.9 1.0 CG B:HIS105 4.6 15.9 1.0 CE1 B:HIS105 4.7 18.3 1.0 O B:HOH961 4.7 29.5 1.0 CU B:CU604 4.8 17.8 0.9 ND1 B:HIS105 5.0 17.3 1.0 CG B:HIS422 5.0 16.6 1.0 CD2 B:HIS493 5.0 16.7 1.0

Copper binding site 8 out of 8 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu604 b:17.8 occ:0.92 ND1 B:HIS107 2.0 16.8 1.0 NE2 B:HIS153 2.1 17.6 1.0 NE2 B:HIS493 2.1 18.3 1.0 O B:HOH701 2.6 8.5 1.0 CE1 B:HIS107 2.9 16.2 1.0 CE1 B:HIS153 3.0 16.1 1.0 CG B:HIS107 3.0 16.6 1.0 CE1 B:HIS493 3.1 19.4 1.0 CD2 B:HIS153 3.1 16.3 1.0 CD2 B:HIS493 3.1 16.7 1.0 CB B:HIS107 3.4 15.1 1.0 CZ2 B:TRP151 3.8 14.9 1.0 CD2 B:HIS105 4.0 16.9 1.0 O B:HOH1142 4.0 37.6 1.0 NE2 B:HIS107 4.0 16.7 1.0 CE2 B:TRP151 4.1 15.5 1.0 ND1 B:HIS153 4.1 16.0 1.0 CU B:CU602 4.1 17.2 0.6 CD2 B:HIS107 4.1 16.3 1.0 ND1 B:HIS493 4.2 17.5 1.0 CG B:HIS153 4.2 15.2 1.0 CG B:HIS493 4.3 15.7 1.0 NE1 B:TRP151 4.3 15.7 1.0 CB B:ALA297 4.4 15.0 1.0 NE2 B:HIS105 4.5 17.1 1.0 CH2 B:TRP151 4.5 14.8 1.0 CA B:HIS107 4.6 14.8 1.0 CD2 B:HIS422 4.6 17.2 1.0 NE2 B:HIS422 4.7 17.2 1.0 CU B:CU603 4.8 17.8 0.7

T.Xie, Z.C.Liu, G.G.Wang. The Crystal Structure of Cota Laccase Complexed with Sinapic Acid To Be Published.