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Copper in PDB 2qpe: An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus

Enzymatic activity of An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus

All present enzymatic activity of An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus:
1.9.3.1;

Protein crystallography data

The structure of An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus, PDB code: 2qpe was solved by B.Liu, V.M.Luna, 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) 19.99 / 2.90
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 114.635, 114.635, 148.568, 90.00, 90.00, 90.00
R / Rfree (%) 23.4 / 30.2

Other elements in 2qpe:

The structure of An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of 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 An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus (pdb code 2qpe). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus, PDB code: 2qpe:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in 2qpe

Go back to Copper Binding Sites List in 2qpe
Copper binding site 1 out of 3 in the An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of 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 An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu803

b:84.0
occ:1.00
 NE2 A:HIS282 1.9 76.8 1.0
ND1 A:HIS233 2.0 84.8 1.0
NE2 A:HIS283 2.1 76.6 1.0
CE1 A:HIS282 2.7 71.8 1.0
CE1 A:HIS233 2.7 93.9 1.0
CD2 A:HIS283 2.8 81.6 1.0
CG A:HIS233 3.0 81.1 1.0
CD2 A:HIS282 3.1 90.0 1.0
CE1 A:HIS283 3.2 79.0 1.0
CB A:HIS233 3.5 80.1 1.0
NE2 A:HIS233 3.8 86.5 1.0
ND1 A:HIS282 3.9 72.5 1.0
CD2 A:HIS233 3.9 86.6 1.0
ND A:HAS801 4.0 76.7 1.0
CA A:HIS233 4.0 81.8 1.0
CG A:HIS283 4.1 82.5 1.0
C1D A:HAS801 4.1 87.0 1.0
C4D A:HAS801 4.1 80.4 1.0
CG A:HIS282 4.1 82.6 1.0
ND1 A:HIS283 4.2 82.7 1.0
C2D A:HAS801 4.4 73.7 1.0
C3D A:HAS801 4.4 74.9 1.0
FE A:HAS801 4.6 77.5 1.0
CHA A:HAS801 4.7 70.3 1.0
CHB A:HAS801 4.7 75.5 1.0
C1A A:HAS801 4.8 75.1 1.0
NA A:HAS801 4.9 83.2 1.0
OMD A:HAS801 4.9 70.4 1.0
C A:HIS233 4.9 85.2 1.0
NB A:HAS801 5.0 73.8 1.0

Copper binding site 2 out of 3 in 2qpe

Go back to Copper Binding Sites List in 2qpe
Copper binding site 2 out of 3 in the An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of 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 An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu802

b:90.4
occ:1.00
 CU1 B:CUA802 0.0 90.4 1.0
SG B:CYS153 2.0 81.2 1.0
ND1 B:HIS157 2.0 83.7 1.0
SG B:CYS149 2.2 69.5 1.0
O B:GLN151 2.4 88.5 1.0
CU2 B:CUA802 2.7 88.3 1.0
CE1 B:HIS157 2.7 79.3 1.0
CG B:HIS157 3.0 72.6 1.0
N B:CYS153 3.3 86.5 1.0
CB B:CYS153 3.3 85.5 1.0
C B:GLN151 3.4 83.2 1.0
CB B:HIS157 3.6 64.6 1.0
CB B:CYS149 3.8 65.0 1.0
NE2 B:HIS157 3.8 69.2 1.0
CA B:HIS157 3.8 73.1 1.0
CA B:CYS153 3.9 85.1 1.0
CA B:TYR152 3.9 84.5 1.0
C B:TYR152 3.9 86.7 1.0
CD2 B:HIS157 4.0 85.0 1.0
N B:TYR152 4.1 82.7 1.0
SD B:MET160 4.2 88.2 1.0
N B:GLN151 4.3 80.0 1.0
O B:HIS157 4.4 69.2 1.0
CA B:GLN151 4.5 79.5 1.0
C B:HIS157 4.5 73.4 1.0
ND1 B:HIS114 4.5 87.2 1.0
C B:CYS149 4.7 79.0 1.0
O B:CYS149 4.7 82.8 1.0
CB B:MET160 4.7 90.1 1.0
C B:CYS153 4.7 84.7 1.0
CA B:CYS149 4.9 71.1 1.0
CE2 B:PHE88 4.9 95.3 1.0
CB B:HIS114 5.0 74.6 1.0
O B:TYR152 5.0 91.5 1.0

Copper binding site 3 out of 3 in 2qpe

Go back to Copper Binding Sites List in 2qpe
Copper binding site 3 out of 3 in the An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of 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 An Unexpected Outcome of Surface-Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome BA3 Oxidase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu802

b:88.3
occ:1.00
 CU2 B:CUA802 0.0 88.3 1.0
SD B:MET160 2.1 88.2 1.0
ND1 B:HIS114 2.2 87.2 1.0
SG B:CYS153 2.2 81.2 1.0
SG B:CYS149 2.4 69.5 1.0
CU1 B:CUA802 2.7 90.4 1.0
CG B:HIS114 2.9 78.8 1.0
CB B:HIS114 3.0 74.6 1.0
CB B:CYS153 3.1 85.5 1.0
CE B:MET160 3.2 86.8 1.0
CE1 B:HIS114 3.3 89.2 1.0
CB B:CYS149 3.4 65.0 1.0
CG B:MET160 3.7 84.5 1.0
CA B:HIS114 3.8 79.8 1.0
O B:GLN151 4.0 88.5 1.0
CB B:MET160 4.0 90.1 1.0
CD2 B:HIS114 4.1 88.6 1.0
NE2 B:HIS114 4.2 88.4 1.0
ND1 B:HIS157 4.5 83.7 1.0
CA B:CYS153 4.5 85.1 1.0
CD2 B:PHE88 4.7 0.8 1.0
N B:GLY115 4.7 80.7 1.0
CE2 B:PHE88 4.7 95.3 1.0
N B:CYS153 4.7 86.5 1.0
N B:HIS114 4.8 82.5 1.0
CA B:CYS149 4.8 71.1 1.0
C B:HIS114 4.8 81.4 1.0
O B:ILE113 4.8 82.9 1.0

Reference:

B.Liu, V.M.Luna, Y.Chen, C.D.Stout, J.A.Fee. An Unexpected Outcome of Surface Engineering An Integral Membrane Protein: Improved Crystallization of Cytochrome Ba(3) From Thermus Thermophilus. Acta Crystallogr.,Sect.F V. 63 1029 2007.
ISSN: ESSN 1744-3091
PubMed: 18084085
DOI: 10.1107/S1744309107054176
Page generated: Wed Jul 31 00:00:39 2024

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