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Copper in PDB 3qju: The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus

Enzymatic activity of The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus

All present enzymatic activity of The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus:
1.9.3.1;

Protein crystallography data

The structure of The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus, PDB code: 3qju was solved by B.Liu, Y.Zhang, J.T.Sage, T.Doukov, Y.Chen, C.D.Stout, J.A.Fee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.91 / 2.90
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 109.750, 109.750, 164.770, 90.00, 90.00, 90.00
R / Rfree (%) 28.6 / 32.9

Other elements in 3qju:

The structure of The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Copper Binding Sites:

The binding sites of Copper atom in the The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus (pdb code 3qju). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus, PDB code: 3qju:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in 3qju

Go back to Copper Binding Sites List in 3qju
Copper binding site 1 out of 3 in the The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase 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 Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu803

b:40.0
occ:1.00
 ND1 A:HIS233 1.7 49.1 1.0
C A:CMO563 2.0 40.0 1.0
NE2 A:HIS283 2.0 48.9 1.0
NE2 A:HIS282 2.1 50.2 1.0
CG A:HIS233 2.7 48.8 1.0
CE1 A:HIS233 2.7 49.6 1.0
CE1 A:HIS282 2.8 50.6 1.0
O A:CMO563 2.8 40.0 1.0
CE1 A:HIS283 2.9 48.8 1.0
CB A:HIS233 3.1 48.3 1.0
CD2 A:HIS283 3.1 49.1 1.0
CD2 A:HIS282 3.2 50.7 1.0
CA A:HIS233 3.8 47.8 1.0
NE2 A:HIS233 3.8 49.5 1.0
CD2 A:HIS233 3.8 49.0 1.0
ND1 A:HIS282 4.0 51.4 1.0
ND1 A:HIS283 4.0 49.0 1.0
CG A:HIS283 4.2 49.1 1.0
CG A:HIS282 4.2 51.5 1.0
C1D A:HAS801 4.3 40.0 1.0
ND A:HAS801 4.3 40.0 1.0
C2D A:HAS801 4.5 40.0 1.0
C4D A:HAS801 4.6 40.0 1.0
O A:GLY232 4.6 47.6 1.0
N A:HIS233 4.6 47.6 1.0
CHB A:HAS801 4.7 40.0 1.0
C3D A:HAS801 4.7 40.0 1.0
C A:HIS233 4.8 47.8 1.0
O A:HIS233 4.9 47.9 1.0

Copper binding site 2 out of 3 in 3qju

Go back to Copper Binding Sites List in 3qju
Copper binding site 2 out of 3 in the The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase 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 Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu802

b:40.0
occ:1.00
 CU1 B:CUA802 0.0 40.0 1.0
ND1 B:HIS157 1.8 58.9 1.0
SG B:CYS149 2.1 56.6 1.0
SG B:CYS153 2.3 58.2 1.0
CE1 B:HIS157 2.5 58.4 1.0
CU2 B:CUA802 2.7 40.0 1.0
O B:GLN151 2.7 55.4 1.0
CG B:HIS157 3.0 60.5 1.0
CB B:CYS149 3.3 57.8 1.0
C B:GLN151 3.5 55.1 1.0
N B:CYS153 3.6 57.8 1.0
CB B:CYS153 3.6 57.6 1.0
CB B:HIS157 3.6 61.6 1.0
NE2 B:HIS157 3.7 59.6 1.0
O B:CYS149 3.8 58.8 1.0
CA B:HIS157 3.9 62.5 1.0
C B:CYS149 3.9 57.5 1.0
CD2 B:HIS157 4.0 61.0 1.0
C B:TYR152 4.0 56.9 1.0
N B:GLN151 4.1 54.9 1.0
CA B:TYR152 4.1 57.1 1.0
N B:TYR152 4.1 55.9 1.0
CA B:CYS149 4.2 57.5 1.0
CA B:CYS153 4.2 57.9 1.0
O B:HIS157 4.2 63.1 1.0
SD B:MET160 4.4 59.0 1.0
C B:HIS157 4.4 63.6 1.0
CA B:GLN151 4.5 54.2 1.0
N B:ASN150 4.5 56.4 1.0
ND1 B:HIS114 4.6 56.6 1.0
O B:TYR152 4.9 55.9 1.0
CB B:MET160 4.9 61.7 1.0
C B:ASN150 5.0 55.2 1.0

Copper binding site 3 out of 3 in 3qju

Go back to Copper Binding Sites List in 3qju
Copper binding site 3 out of 3 in the The Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase 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 Structure of and Photolytic Induced Changes of Carbon Monoxide Binding to the Cytochrome BA3-Oxidase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu802

b:40.0
occ:1.00
 CU2 B:CUA802 0.0 40.0 1.0
ND1 B:HIS114 2.0 56.6 1.0
SG B:CYS149 2.1 56.6 1.0
SG B:CYS153 2.1 58.2 1.0
SD B:MET160 2.3 59.0 1.0
CU1 B:CUA802 2.7 40.0 1.0
CE1 B:HIS114 2.9 57.5 1.0
CB B:CYS153 3.0 57.6 1.0
CG B:HIS114 3.1 55.7 1.0
CE B:MET160 3.3 58.2 1.0
CB B:CYS149 3.3 57.8 1.0
CB B:HIS114 3.5 54.9 1.0
CG B:MET160 3.9 60.5 1.0
CA B:HIS114 4.0 54.0 1.0
NE2 B:HIS114 4.0 57.1 1.0
O B:GLN151 4.1 55.4 1.0
CD2 B:HIS114 4.2 56.0 1.0
CB B:MET160 4.3 61.7 1.0
CA B:CYS153 4.4 57.9 1.0
ND1 B:HIS157 4.4 58.9 1.0
O B:ILE113 4.6 54.3 1.0
N B:CYS153 4.6 57.8 1.0
CA B:CYS149 4.7 57.5 1.0
N B:GLY115 4.8 53.9 1.0
C B:HIS114 5.0 53.4 1.0

Reference:

B.Liu, Y.Zhang, J.T.Sage, S.M.Soltis, T.Doukov, Y.Chen, C.D.Stout, J.A.Fee. Structural Changes That Occur Upon Photolysis of the Fe(II)(A3)-Co Complex in the Cytochrome Ba(3)-Oxidase of Thermus Thermophilus: A Combined X-Ray Crystallographic and Infrared Spectral Study Demonstrates Co Binding to Cu(B). Biochim.Biophys.Acta V.1817 658 2012.
ISSN: ISSN 0006-3002
PubMed: 22226917
DOI: 10.1016/J.BBABIO.2011.12.010
Page generated: Mon Jul 14 02:39:03 2025

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