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Copper in PDB 3s8g: 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment

Enzymatic activity of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment

All present enzymatic activity of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment:
1.9.3.1;

Protein crystallography data

The structure of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment, PDB code: 3s8g was solved by T.Tiefenbrunn, W.Liu, Y.Chen, V.Katritch, C.D.Stout, J.A.Fee, V.Cherezov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.48 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 144.963, 98.636, 95.060, 90.00, 128.07, 90.00
R / Rfree (%) 17.5 / 19.6

Other elements in 3s8g:

The structure of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Copper Binding Sites:

The binding sites of Copper atom in the 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment (pdb code 3s8g). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment, PDB code: 3s8g:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in 3s8g

Go back to Copper Binding Sites List in 3s8g
Copper binding site 1 out of 3 in the 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu803

b:15.3
occ:1.00
 ND1 A:HIS233 1.9 10.9 1.0
NE2 A:HIS283 2.0 14.4 1.0
NE2 A:HIS282 2.0 16.0 1.0
O2 A:PER563 2.2 14.6 1.0
O1 A:PER563 2.7 15.7 1.0
CG A:HIS233 2.9 15.1 1.0
CE1 A:HIS283 2.9 12.5 1.0
CE1 A:HIS282 3.0 17.6 1.0
CE1 A:HIS233 3.0 13.9 1.0
CD2 A:HIS283 3.0 13.3 1.0
CD2 A:HIS282 3.1 15.8 1.0
CB A:HIS233 3.2 14.9 1.0
CA A:HIS233 3.6 14.6 1.0
ND1 A:HIS283 4.0 12.3 1.0
CD2 A:HIS233 4.0 13.9 1.0
NE2 A:HIS233 4.1 13.5 1.0
CG A:HIS283 4.1 13.8 1.0
ND1 A:HIS282 4.1 17.0 1.0
CG A:HIS282 4.2 16.9 1.0
C1D A:HAS801 4.4 14.1 1.0
ND A:HAS801 4.4 13.2 1.0
N A:HIS233 4.5 14.8 1.0
C2D A:HAS801 4.5 13.6 1.0
C4D A:HAS801 4.5 11.5 1.0
O A:HOH618 4.6 45.4 1.0
C3D A:HAS801 4.6 13.3 1.0
C A:HIS233 4.6 15.0 1.0
O A:HIS233 4.7 15.1 1.0
O A:GLY232 4.8 15.6 1.0
CHB A:HAS801 4.9 11.2 1.0
FE A:HAS801 4.9 14.0 1.0
CMD A:HAS801 5.0 16.0 1.0

Copper binding site 2 out of 3 in 3s8g

Go back to Copper Binding Sites List in 3s8g
Copper binding site 2 out of 3 in the 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu802

b:14.3
occ:1.00
 CU1 B:CUA802 0.0 14.3 1.0
ND1 B:HIS157 1.9 11.8 1.0
SG B:CYS149 2.4 13.6 1.0
SG B:CYS153 2.4 14.5 1.0
O B:GLN151 2.6 14.3 1.0
CU2 B:CUA802 2.6 14.1 1.0
CE1 B:HIS157 2.8 12.7 1.0
CG B:HIS157 3.0 10.6 1.0
CB B:CYS149 3.4 13.0 1.0
CB B:CYS153 3.5 15.3 1.0
CB B:HIS157 3.5 12.0 1.0
C B:GLN151 3.5 13.0 1.0
N B:CYS153 3.6 13.4 1.0
CA B:HIS157 3.7 13.1 1.0
NE2 B:HIS157 4.0 12.8 1.0
CD2 B:HIS157 4.1 11.6 1.0
C B:TYR152 4.1 13.4 1.0
CA B:TYR152 4.2 13.5 1.0
CA B:CYS153 4.2 14.2 1.0
O B:CYS149 4.2 13.3 1.0
O B:HIS157 4.2 11.8 1.0
N B:TYR152 4.2 13.8 1.0
C B:CYS149 4.3 11.6 1.0
N B:GLN151 4.3 12.1 1.0
C B:HIS157 4.4 11.9 1.0
ND1 B:HIS114 4.4 10.1 1.0
SD B:MET160 4.4 14.2 1.0
CA B:CYS149 4.5 12.7 1.0
CA B:GLN151 4.5 13.2 1.0
CB B:MET160 4.8 13.2 1.0
N B:HIS157 4.9 12.8 1.0
N B:ASN150 4.9 11.6 1.0

Copper binding site 3 out of 3 in 3s8g

Go back to Copper Binding Sites List in 3s8g
Copper binding site 3 out of 3 in the 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of 1.8 A Structure of BA3 Cytochrome C Oxidase Mutant (A120F) From Thermus Thermophilus in Lipid Environment within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu802

b:14.1
occ:1.00
 CU2 B:CUA802 0.0 14.1 1.0
ND1 B:HIS114 2.1 10.1 1.0
SD B:MET160 2.3 14.2 1.0
SG B:CYS149 2.4 13.6 1.0
SG B:CYS153 2.4 14.5 1.0
CU1 B:CUA802 2.6 14.3 1.0
CE1 B:HIS114 2.9 11.8 1.0
CE B:MET160 3.2 12.1 1.0
CG B:HIS114 3.2 13.4 1.0
CB B:CYS149 3.3 13.0 1.0
CB B:CYS153 3.3 15.3 1.0
CB B:HIS114 3.6 12.8 1.0
CG B:MET160 3.7 13.0 1.0
CA B:HIS114 4.1 13.8 1.0
NE2 B:HIS114 4.1 13.5 1.0
O B:GLN151 4.1 14.3 1.0
CB B:MET160 4.2 13.2 1.0
CD2 B:HIS114 4.2 10.8 1.0
ND1 B:HIS157 4.5 11.8 1.0
CD2 B:PHE88 4.7 13.4 1.0
O B:ILE113 4.7 14.2 1.0
CA B:CYS149 4.7 12.7 1.0
CA B:CYS153 4.7 14.2 1.0
N B:GLY115 4.7 13.6 1.0
N B:CYS153 5.0 13.4 1.0
C B:HIS114 5.0 14.2 1.0

Reference:

T.Tiefenbrunn, W.Liu, Y.Chen, V.Katritch, C.D.Stout, J.A.Fee, V.Cherezov. High Resolution Structure of the BA3 Cytochrome C Oxidase From Thermus Thermophilus in A Lipidic Environment. Plos One V. 6 22348 2011.
ISSN: ESSN 1932-6203
PubMed: 21814577
DOI: 10.1371/JOURNAL.PONE.0022348
Page generated: Sun Dec 13 11:11:48 2020

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