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Copper in PDB 4gp8: Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus

Enzymatic activity of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus

All present enzymatic activity of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus:
1.9.3.1;

Protein crystallography data

The structure of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus, PDB code: 4gp8 was solved by Y.Li, Y.Chen, C.D.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 143.380, 98.880, 95.490, 90.00, 127.52, 90.00
R / Rfree (%) 17.7 / 22.7

Other elements in 4gp8:

The structure of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Copper Binding Sites:

The binding sites of Copper atom in the Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus (pdb code 4gp8). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus, PDB code: 4gp8:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in 4gp8

Go back to Copper Binding Sites List in 4gp8
Copper binding site 1 out of 3 in the Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F 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 Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu601

b:22.6
occ:1.00
 CD2 A:HIS233 1.7 27.0 1.0
NE2 A:HIS283 2.0 26.1 1.0
NE2 A:HIS282 2.1 18.1 1.0
O2 A:PER604 2.2 28.5 1.0
O1 A:PER604 2.5 28.6 1.0
CG A:HIS233 2.6 24.8 1.0
NE2 A:HIS233 2.8 27.9 1.0
CE1 A:HIS283 2.9 25.4 1.0
CD2 A:HIS283 3.0 25.6 1.0
CE1 A:HIS282 3.0 19.3 1.0
CD2 A:HIS282 3.1 18.9 1.0
CB A:HIS233 3.2 23.0 1.0
ND1 A:HIS233 3.8 25.8 1.0
CA A:HIS233 3.8 22.8 1.0
CE1 A:HIS233 3.8 25.4 1.0
ND1 A:HIS283 4.0 25.4 1.0
CG A:HIS283 4.1 23.7 1.0
ND1 A:HIS282 4.2 21.8 1.0
CG A:HIS282 4.2 21.2 1.0
C1D A:HAS603 4.3 18.0 1.0
C2D A:HAS603 4.3 18.3 1.0
C4D A:HAS603 4.5 17.0 1.0
ND A:HAS603 4.5 19.2 1.0
C3D A:HAS603 4.6 16.1 1.0
CHB A:HAS603 4.8 17.1 1.0
C A:HIS233 4.8 22.2 1.0
N A:HIS233 4.8 23.1 1.0
CHA A:HAS603 4.9 16.9 1.0
O A:HIS233 4.9 21.6 1.0
FE A:HAS603 4.9 21.5 1.0
CMD A:HAS603 5.0 21.4 1.0

Copper binding site 2 out of 3 in 4gp8

Go back to Copper Binding Sites List in 4gp8
Copper binding site 2 out of 3 in the Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F 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 Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu201

b:21.7
occ:1.00
 CU1 B:CUA201 0.0 21.7 1.0
ND1 B:HIS157 2.0 19.3 1.0
SG B:CYS153 2.2 21.2 1.0
SG B:CYS149 2.3 14.9 1.0
O B:GLN151 2.4 21.9 1.0
CU2 B:CUA201 2.7 23.5 1.0
CE1 B:HIS157 2.9 19.3 1.0
CG B:HIS157 3.2 21.8 1.0
CB B:CYS149 3.3 20.5 1.0
CB B:CYS153 3.4 20.1 1.0
C B:GLN151 3.5 21.2 1.0
N B:CYS153 3.5 20.2 1.0
CB B:HIS157 3.6 23.6 1.0
CA B:HIS157 3.9 23.8 1.0
NE2 B:HIS157 4.0 21.1 1.0
CA B:CYS153 4.1 20.2 1.0
CA B:TYR152 4.1 20.2 1.0
C B:TYR152 4.1 20.4 1.0
O B:CYS149 4.1 22.6 1.0
N B:TYR152 4.2 20.8 1.0
CD2 B:HIS157 4.2 19.8 1.0
C B:CYS149 4.2 21.6 1.0
O B:HIS157 4.2 24.4 1.0
N B:GLN151 4.3 21.1 1.0
ND1 B:HIS114 4.4 23.1 1.0
CA B:CYS149 4.4 20.8 1.0
C B:HIS157 4.5 24.1 1.0
CA B:GLN151 4.5 21.1 1.0
SD B:MET160 4.5 24.5 1.0
N B:ASN150 4.8 21.6 1.0

Copper binding site 3 out of 3 in 4gp8

Go back to Copper Binding Sites List in 4gp8
Copper binding site 3 out of 3 in the Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F 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 Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W+T231F From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu201

b:23.5
occ:1.00
 CU2 B:CUA201 0.0 23.5 1.0
ND1 B:HIS114 2.1 23.1 1.0
SG B:CYS149 2.3 14.9 1.0
SG B:CYS153 2.3 21.2 1.0
SD B:MET160 2.4 24.5 1.0
CU1 B:CUA201 2.7 21.7 1.0
CE1 B:HIS114 2.9 22.1 1.0
CE B:MET160 3.1 15.0 1.0
CB B:CYS153 3.2 20.1 1.0
CG B:HIS114 3.2 24.1 1.0
CB B:CYS149 3.3 20.5 1.0
CB B:HIS114 3.7 23.7 1.0
CG B:MET160 3.8 22.5 1.0
NE2 B:HIS114 4.0 22.0 1.0
O B:GLN151 4.1 21.9 1.0
CA B:HIS114 4.2 23.7 1.0
CD2 B:HIS114 4.2 23.4 1.0
CB B:MET160 4.3 22.1 1.0
CA B:CYS153 4.6 20.2 1.0
ND1 B:HIS157 4.6 19.3 1.0
O B:ILE113 4.7 25.2 1.0
CA B:CYS149 4.7 20.8 1.0
O B:PHE86 4.8 23.4 1.0
CD2 B:PHE88 4.8 20.9 1.0
N B:GLY115 4.8 24.3 1.0
N B:CYS153 4.8 20.2 1.0

Reference:

W.Mcdonald, C.Funatogawa, Y.Li, I.Szundi, Y.Chen, J.A.Fee, C.D.Stout, O.Einarsdottir. Ligand Access to the Active Site in Thermus Thermophilusba(3) and Bovine Heart Aa(3) Cytochrome Oxidases. Biochemistry V. 52 640 2013.
ISSN: ISSN 0006-2960
PubMed: 23282175
DOI: 10.1021/BI301358A
Page generated: Mon Jul 14 03:42:06 2025

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