Copper in PDB 2cua: The Cua Domain of Cytochrome BA3 From Thermus Thermophilus

All present enzymatic activity of The Cua Domain of Cytochrome BA3 From Thermus Thermophilus:
1.9.3.1;

The structure of The Cua Domain of Cytochrome BA3 From Thermus Thermophilus, PDB code: 2cua was solved by P.A.Williams, N.J.Blackburn, D.Sanders, H.Bellamy, E.A.Stura, J.A.Fee, D.E.Mcree, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.900, 70.600, 53.500, 90.00, 98.12, 90.00
R / Rfree (%)	22.7 / 29.7

The structure of The Cua Domain of Cytochrome BA3 From Thermus Thermophilus also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Copper atom in the The Cua Domain of Cytochrome BA3 From Thermus Thermophilus (pdb code 2cua). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the The Cua Domain of Cytochrome BA3 From Thermus Thermophilus, PDB code: 2cua:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the The Cua Domain of Cytochrome BA3 From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of The Cua Domain of Cytochrome BA3 From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu169 b:18.2 occ:1.00 CU1 A:CUA169 0.0 18.2 1.0 ND1 A:HIS114 2.1 17.5 1.0 SG A:CYS149 2.4 19.5 1.0 SG A:CYS153 2.4 19.5 1.0 SD A:MET160 2.5 22.3 1.0 CU2 A:CUA169 2.5 18.1 1.0 CE1 A:HIS114 2.9 19.9 1.0 CB A:CYS153 3.2 18.0 1.0 CG A:HIS114 3.2 20.2 1.0 CE A:MET160 3.3 9.7 1.0 CB A:CYS149 3.3 18.1 1.0 CB A:HIS114 3.6 13.6 1.0 CG A:MET160 3.8 20.6 1.0 O A:GLN151 4.0 18.4 1.0 NE2 A:HIS114 4.1 12.8 1.0 CA A:HIS114 4.1 8.9 1.0 CD2 A:HIS114 4.3 14.0 1.0 ND1 A:HIS157 4.3 24.1 1.0 CB A:MET160 4.3 17.2 1.0 CA A:CYS153 4.6 17.7 1.0 N A:GLY115 4.7 16.0 1.0 O A:ILE113 4.7 14.2 1.0 CA A:CYS149 4.8 16.6 1.0 N A:CYS153 4.8 13.5 1.0 O A:PHE86 4.9 17.4 1.0

Copper binding site 2 out of 4 in the The Cua Domain of Cytochrome BA3 From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of The Cua Domain of Cytochrome BA3 From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu169 b:18.1 occ:1.00 CU2 A:CUA169 0.0 18.1 1.0 ND1 A:HIS157 1.9 24.1 1.0 SG A:CYS153 2.3 19.5 1.0 SG A:CYS149 2.3 19.5 1.0 CU1 A:CUA169 2.5 18.2 1.0 O A:GLN151 2.6 18.4 1.0 CE1 A:HIS157 2.7 18.0 1.0 CG A:HIS157 3.0 23.6 1.0 CB A:CYS153 3.2 18.0 1.0 N A:CYS153 3.4 13.5 1.0 CB A:CYS149 3.4 18.1 1.0 CB A:HIS157 3.5 16.5 1.0 C A:GLN151 3.6 15.9 1.0 CA A:HIS157 3.7 18.2 1.0 NE2 A:HIS157 3.9 20.1 1.0 CA A:CYS153 4.0 17.7 1.0 C A:TYR152 4.0 10.9 1.0 CD2 A:HIS157 4.0 16.6 1.0 CA A:TYR152 4.0 14.7 1.0 N A:TYR152 4.3 13.7 1.0 O A:HIS157 4.3 27.4 1.0 ND1 A:HIS114 4.3 17.5 1.0 SD A:MET160 4.4 22.3 1.0 N A:GLN151 4.4 20.5 1.0 O A:CYS149 4.4 18.0 1.0 C A:HIS157 4.4 30.6 1.0 C A:CYS149 4.5 11.4 1.0 CA A:CYS149 4.6 16.6 1.0 CA A:GLN151 4.6 19.0 1.0 O A:HOH6137 4.9 29.4 1.0 N A:HIS157 4.9 21.0 1.0 CB A:MET160 4.9 17.2 1.0 C A:CYS153 4.9 13.3 1.0 O A:TYR152 5.0 16.5 1.0

Copper binding site 3 out of 4 in the The Cua Domain of Cytochrome BA3 From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of The Cua Domain of Cytochrome BA3 From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu170 b:18.2 occ:1.00 CU1 B:CUA170 0.0 18.2 1.0 ND1 B:HIS114 2.1 10.3 1.0 SG B:CYS149 2.3 21.5 1.0 SG B:CYS153 2.4 23.0 1.0 SD B:MET160 2.5 20.1 1.0 CU2 B:CUA170 2.5 20.3 1.0 CE1 B:HIS114 2.9 18.3 1.0 CG B:HIS114 3.2 11.4 1.0 CB B:CYS149 3.3 20.4 1.0 CE B:MET160 3.3 16.3 1.0 CB B:CYS153 3.4 20.8 1.0 CB B:HIS114 3.6 9.5 1.0 CG B:MET160 3.7 18.3 1.0 O B:GLN151 4.0 25.1 1.0 CA B:HIS114 4.1 13.2 1.0 NE2 B:HIS114 4.1 19.1 1.0 CB B:MET160 4.2 18.4 1.0 CD2 B:HIS114 4.2 14.7 1.0 ND1 B:HIS157 4.3 24.0 1.0 N B:GLY115 4.5 15.4 1.0 CA B:CYS149 4.8 16.1 1.0 CA B:CYS153 4.8 32.1 1.0 O B:ILE113 4.8 14.6 1.0 N B:CYS153 4.8 26.4 1.0 CD1 B:PHE88 4.9 16.2 1.0 C B:HIS114 4.9 12.3 1.0

Copper binding site 4 out of 4 in the The Cua Domain of Cytochrome BA3 From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of The Cua Domain of Cytochrome BA3 From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu170 b:20.3 occ:1.00 CU2 B:CUA170 0.0 20.3 1.0 ND1 B:HIS157 1.9 24.0 1.0 SG B:CYS153 2.3 23.0 1.0 SG B:CYS149 2.3 21.5 1.0 CU1 B:CUA170 2.5 18.2 1.0 O B:GLN151 2.7 25.1 1.0 CE1 B:HIS157 2.7 29.2 1.0 CG B:HIS157 3.0 31.7 1.0 N B:CYS153 3.4 26.4 1.0 CB B:CYS149 3.4 20.4 1.0 CB B:CYS153 3.5 20.8 1.0 CB B:HIS157 3.5 19.2 1.0 C B:GLN151 3.5 27.3 1.0 CA B:HIS157 3.8 19.9 1.0 NE2 B:HIS157 3.9 33.0 1.0 CA B:TYR152 3.9 28.1 1.0 C B:TYR152 4.0 21.4 1.0 CD2 B:HIS157 4.1 33.2 1.0 CA B:CYS153 4.1 32.1 1.0 N B:TYR152 4.1 21.3 1.0 O B:CYS149 4.3 19.4 1.0 O B:HIS157 4.3 19.8 1.0 ND1 B:HIS114 4.3 10.3 1.0 SD B:MET160 4.4 20.1 1.0 C B:CYS149 4.4 22.0 1.0 N B:GLN151 4.5 26.4 1.0 C B:HIS157 4.5 22.1 1.0 CA B:CYS149 4.6 16.1 1.0 CA B:GLN151 4.6 22.6 1.0 CB B:MET160 4.7 18.4 1.0 O B:HOH6015 4.9 29.9 1.0 CG B:MET160 4.9 18.3 1.0 N B:HIS157 5.0 21.1 1.0

P.A.Williams, N.J.Blackburn, D.Sanders, H.Bellamy, E.A.Stura, J.A.Fee, D.E.Mcree. The Cua Domain of Thermus Thermophilus BA3-Type Cytochrome C Oxidase at 1.6 A Resolution. Nat.Struct.Biol. V. 6 509 1999.
ISSN: ISSN 1072-8368
PubMed: 10360350
DOI: 10.1038/9274