Copper in PDB 5w97: Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature
Enzymatic activity of Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature
All present enzymatic activity of Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature:
1.9.3.1;
Protein crystallography data
The structure of Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature, PDB code: 5w97
was solved by
D.L.Rousseau,
S.-R.Yeh,
I.Ishigami,
N.A.Zatsepin,
T.D.Grant,
P.Fromme,
R.Fromme,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.86 /
2.30
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
178.300,
189.000,
209.000,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.8 /
25.2
|
Other elements in 5w97:
The structure of Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature also contains other interesting chemical elements:
Copper Binding Sites:
The binding sites of Copper atom in the Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature
(pdb code 5w97). This binding sites where shown within
5.0 Angstroms radius around Copper atom.
In total 6 binding sites of Copper where determined in the
Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature, PDB code: 5w97:
Jump to Copper binding site number:
1;
2;
3;
4;
5;
6;
Copper binding site 1 out
of 6 in 5w97
Go back to
Copper Binding Sites List in 5w97
Copper binding site 1 out
of 6 in the Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 1 of Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu603
b:28.4
occ:1.00
|
NE2
|
A:HIS291
|
2.0
|
29.4
|
1.0
|
ND1
|
A:HIS240
|
2.0
|
27.6
|
1.0
|
NE2
|
A:HIS290
|
2.1
|
24.1
|
1.0
|
O
|
A:CMO609
|
2.7
|
24.4
|
1.0
|
CD2
|
A:HIS291
|
2.8
|
28.6
|
1.0
|
CG
|
A:HIS240
|
3.0
|
23.5
|
1.0
|
CD2
|
A:HIS290
|
3.0
|
24.5
|
1.0
|
CE1
|
A:HIS240
|
3.0
|
27.3
|
1.0
|
CE1
|
A:HIS291
|
3.1
|
28.4
|
1.0
|
CE1
|
A:HIS290
|
3.1
|
25.4
|
1.0
|
CB
|
A:HIS240
|
3.3
|
21.6
|
1.0
|
C
|
A:CMO609
|
3.5
|
23.5
|
1.0
|
CA
|
A:HIS240
|
3.9
|
21.6
|
1.0
|
CG
|
A:HIS291
|
4.0
|
26.9
|
1.0
|
ND1
|
A:HIS291
|
4.1
|
27.5
|
1.0
|
CD2
|
A:HIS240
|
4.1
|
25.6
|
1.0
|
NE2
|
A:HIS240
|
4.1
|
28.9
|
1.0
|
CG
|
A:HIS290
|
4.2
|
24.1
|
1.0
|
ND1
|
A:HIS290
|
4.2
|
23.4
|
1.0
|
N
|
A:HIS240
|
4.7
|
21.4
|
1.0
|
CG2
|
A:VAL243
|
4.8
|
28.6
|
1.0
|
O
|
A:VAL287
|
4.9
|
22.9
|
1.0
|
CG2
|
A:VAL287
|
4.9
|
23.6
|
1.0
|
|
Copper binding site 2 out
of 6 in 5w97
Go back to
Copper Binding Sites List in 5w97
Copper binding site 2 out
of 6 in the Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 2 of Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cu301
b:31.7
occ:1.00
|
CU1
|
B:CUA301
|
0.0
|
31.7
|
1.0
|
ND1
|
B:HIS161
|
2.0
|
25.4
|
1.0
|
SG
|
B:CYS196
|
2.3
|
25.8
|
1.0
|
SG
|
B:CYS200
|
2.4
|
26.3
|
1.0
|
SD
|
B:MET207
|
2.4
|
28.2
|
1.0
|
CU2
|
B:CUA301
|
2.6
|
29.4
|
1.0
|
CE1
|
B:HIS161
|
2.9
|
21.7
|
1.0
|
CE
|
B:MET207
|
3.0
|
26.1
|
1.0
|
CG
|
B:HIS161
|
3.2
|
22.4
|
1.0
|
CB
|
B:CYS200
|
3.2
|
27.4
|
1.0
|
CB
|
B:CYS196
|
3.4
|
27.9
|
1.0
|
CG
|
B:MET207
|
3.5
|
28.7
|
1.0
|
CB
|
B:HIS161
|
3.6
|
23.9
|
1.0
|
O
|
B:GLU198
|
3.8
|
31.9
|
1.0
|
NE2
|
B:HIS161
|
4.1
|
21.2
|
1.0
|
CA
|
B:HIS161
|
4.2
|
23.6
|
1.0
|
CD2
|
B:HIS161
|
4.2
|
20.9
|
1.0
|
ND1
|
B:HIS204
|
4.6
|
28.0
|
1.0
|
CD1
|
B:TRP104
|
4.6
|
29.5
|
1.0
|
CA
|
B:CYS200
|
4.6
|
28.0
|
1.0
|
O
|
B:LEU160
|
4.7
|
23.6
|
1.0
|
O
|
B:HIS102
|
4.7
|
24.3
|
1.0
|
CA
|
B:HIS204
|
4.8
|
27.7
|
1.0
|
CA
|
B:CYS196
|
4.8
|
26.8
|
1.0
|
CB
|
B:MET207
|
4.9
|
27.2
|
1.0
|
N
|
B:CYS200
|
4.9
|
26.8
|
1.0
|
CZ2
|
B:TRP106
|
4.9
|
32.1
|
1.0
|
|
Copper binding site 3 out
of 6 in 5w97
Go back to
Copper Binding Sites List in 5w97
Copper binding site 3 out
of 6 in the Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 3 of Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cu301
b:29.4
occ:1.00
|
CU2
|
B:CUA301
|
0.0
|
29.4
|
1.0
|
ND1
|
B:HIS204
|
2.0
|
28.0
|
1.0
|
O
|
B:GLU198
|
2.1
|
31.9
|
1.0
|
SG
|
B:CYS200
|
2.3
|
26.3
|
1.0
|
SG
|
B:CYS196
|
2.3
|
25.8
|
1.0
|
CU1
|
B:CUA301
|
2.6
|
31.7
|
1.0
|
CE1
|
B:HIS204
|
2.9
|
28.0
|
1.0
|
CG
|
B:HIS204
|
3.1
|
25.7
|
1.0
|
CB
|
B:CYS200
|
3.3
|
27.4
|
1.0
|
CB
|
B:CYS196
|
3.4
|
27.9
|
1.0
|
C
|
B:GLU198
|
3.4
|
25.2
|
1.0
|
CA
|
B:HIS204
|
3.5
|
27.7
|
1.0
|
CB
|
B:HIS204
|
3.5
|
27.2
|
1.0
|
N
|
B:CYS200
|
3.5
|
26.8
|
1.0
|
O
|
B:HIS204
|
3.8
|
23.8
|
1.0
|
NE2
|
B:HIS204
|
4.1
|
28.8
|
1.0
|
CA
|
B:CYS200
|
4.1
|
28.0
|
1.0
|
CA
|
B:ILE199
|
4.1
|
24.8
|
1.0
|
C
|
B:HIS204
|
4.1
|
27.4
|
1.0
|
N
|
B:ILE199
|
4.1
|
25.5
|
1.0
|
C
|
B:ILE199
|
4.1
|
25.7
|
1.0
|
CD2
|
B:HIS204
|
4.2
|
26.8
|
1.0
|
N
|
B:GLU198
|
4.2
|
27.5
|
1.0
|
ND1
|
B:HIS161
|
4.2
|
25.4
|
1.0
|
C
|
B:CYS196
|
4.3
|
27.1
|
1.0
|
SD
|
B:MET207
|
4.3
|
28.2
|
1.0
|
CA
|
B:GLU198
|
4.4
|
25.0
|
1.0
|
CA
|
B:CYS196
|
4.5
|
26.8
|
1.0
|
O
|
B:CYS196
|
4.5
|
26.6
|
1.0
|
CG
|
B:MET207
|
4.6
|
28.7
|
1.0
|
N
|
B:SER197
|
4.7
|
25.7
|
1.0
|
N
|
B:HIS204
|
4.7
|
30.5
|
1.0
|
C
|
B:CYS200
|
5.0
|
29.8
|
1.0
|
|
Copper binding site 4 out
of 6 in 5w97
Go back to
Copper Binding Sites List in 5w97
Copper binding site 4 out
of 6 in the Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 4 of Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
a:Cu603
b:39.8
occ:1.00
|
NE2
|
a:HIS290
|
2.0
|
31.1
|
1.0
|
NE2
|
a:HIS291
|
2.0
|
41.5
|
1.0
|
ND1
|
a:HIS240
|
2.0
|
35.2
|
1.0
|
CE1
|
a:HIS291
|
2.8
|
41.2
|
1.0
|
O
|
a:CMO608
|
2.9
|
33.9
|
1.0
|
CE1
|
a:HIS290
|
2.9
|
30.4
|
1.0
|
CE1
|
a:HIS240
|
3.0
|
34.4
|
1.0
|
CG
|
a:HIS240
|
3.0
|
34.1
|
1.0
|
CD2
|
a:HIS290
|
3.0
|
30.3
|
1.0
|
CD2
|
a:HIS291
|
3.1
|
42.2
|
1.0
|
C
|
a:CMO608
|
3.3
|
36.6
|
1.0
|
CB
|
a:HIS240
|
3.3
|
33.9
|
1.0
|
ND1
|
a:HIS291
|
3.9
|
38.4
|
1.0
|
CA
|
a:HIS240
|
4.0
|
33.9
|
1.0
|
ND1
|
a:HIS290
|
4.1
|
28.2
|
1.0
|
CG
|
a:HIS291
|
4.1
|
41.2
|
1.0
|
NE2
|
a:HIS240
|
4.1
|
36.6
|
1.0
|
CD2
|
a:HIS240
|
4.1
|
33.9
|
1.0
|
CG
|
a:HIS290
|
4.1
|
28.5
|
1.0
|
CG2
|
a:VAL287
|
4.7
|
33.6
|
1.0
|
N
|
a:HIS240
|
4.8
|
34.6
|
1.0
|
CG2
|
a:VAL243
|
4.8
|
34.2
|
1.0
|
|
Copper binding site 5 out
of 6 in 5w97
Go back to
Copper Binding Sites List in 5w97
Copper binding site 5 out
of 6 in the Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 5 of Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
b:Cu302
b:46.6
occ:1.00
|
CU1
|
b:CUA302
|
0.0
|
46.6
|
1.0
|
ND1
|
b:HIS161
|
2.0
|
50.6
|
1.0
|
SG
|
b:CYS200
|
2.3
|
41.1
|
1.0
|
SG
|
b:CYS196
|
2.3
|
41.0
|
1.0
|
SD
|
b:MET207
|
2.4
|
47.1
|
1.0
|
CU2
|
b:CUA302
|
2.7
|
47.1
|
1.0
|
CE1
|
b:HIS161
|
2.9
|
47.9
|
1.0
|
CE
|
b:MET207
|
3.0
|
44.6
|
1.0
|
CG
|
b:HIS161
|
3.1
|
48.3
|
1.0
|
CB
|
b:CYS200
|
3.3
|
46.8
|
1.0
|
CB
|
b:HIS161
|
3.5
|
50.2
|
1.0
|
CB
|
b:CYS196
|
3.6
|
49.7
|
1.0
|
CG
|
b:MET207
|
3.6
|
48.2
|
1.0
|
O
|
b:GLU198
|
3.9
|
65.8
|
1.0
|
NE2
|
b:HIS161
|
4.0
|
48.0
|
1.0
|
CD2
|
b:HIS161
|
4.1
|
49.4
|
1.0
|
CA
|
b:HIS161
|
4.1
|
46.5
|
1.0
|
ND1
|
b:HIS204
|
4.6
|
46.0
|
1.0
|
CA
|
b:CYS200
|
4.6
|
45.1
|
1.0
|
CD1
|
b:TRP104
|
4.7
|
41.0
|
1.0
|
O
|
b:LEU160
|
4.7
|
40.6
|
1.0
|
O
|
b:HIS102
|
4.7
|
40.6
|
1.0
|
N
|
b:CYS200
|
4.8
|
50.2
|
1.0
|
CB
|
b:MET207
|
4.8
|
51.8
|
1.0
|
CZ2
|
b:TRP106
|
4.9
|
58.5
|
1.0
|
CA
|
b:HIS204
|
5.0
|
45.2
|
1.0
|
CA
|
b:CYS196
|
5.0
|
48.2
|
1.0
|
|
Copper binding site 6 out
of 6 in 5w97
Go back to
Copper Binding Sites List in 5w97
Copper binding site 6 out
of 6 in the Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 6 of Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
b:Cu302
b:47.1
occ:1.00
|
CU2
|
b:CUA302
|
0.0
|
47.1
|
1.0
|
ND1
|
b:HIS204
|
2.0
|
46.0
|
1.0
|
O
|
b:GLU198
|
2.1
|
65.8
|
1.0
|
SG
|
b:CYS196
|
2.3
|
41.0
|
1.0
|
SG
|
b:CYS200
|
2.3
|
41.1
|
1.0
|
CU1
|
b:CUA302
|
2.7
|
46.6
|
1.0
|
CE1
|
b:HIS204
|
2.8
|
40.8
|
1.0
|
CG
|
b:HIS204
|
3.1
|
45.5
|
1.0
|
C
|
b:GLU198
|
3.4
|
43.3
|
1.0
|
CB
|
b:CYS196
|
3.5
|
49.7
|
1.0
|
CB
|
b:HIS204
|
3.5
|
46.3
|
1.0
|
CA
|
b:HIS204
|
3.6
|
45.2
|
1.0
|
CB
|
b:CYS200
|
3.6
|
46.8
|
1.0
|
N
|
b:CYS200
|
3.6
|
50.2
|
1.0
|
O
|
b:HIS204
|
3.8
|
40.9
|
1.0
|
O
|
b:CYS196
|
3.9
|
41.2
|
1.0
|
NE2
|
b:HIS204
|
4.0
|
50.3
|
1.0
|
C
|
b:CYS196
|
4.1
|
47.2
|
1.0
|
CD2
|
b:HIS204
|
4.1
|
45.5
|
1.0
|
C
|
b:HIS204
|
4.1
|
42.5
|
1.0
|
N
|
b:GLU198
|
4.2
|
44.8
|
1.0
|
N
|
b:ILE199
|
4.2
|
40.8
|
1.0
|
CA
|
b:CYS200
|
4.2
|
45.1
|
1.0
|
CA
|
b:ILE199
|
4.2
|
42.7
|
1.0
|
ND1
|
b:HIS161
|
4.3
|
50.6
|
1.0
|
SD
|
b:MET207
|
4.3
|
47.1
|
1.0
|
C
|
b:ILE199
|
4.4
|
50.9
|
1.0
|
CA
|
b:CYS196
|
4.4
|
48.2
|
1.0
|
CA
|
b:GLU198
|
4.4
|
40.8
|
1.0
|
CG
|
b:MET207
|
4.6
|
48.2
|
1.0
|
N
|
b:SER197
|
4.6
|
49.0
|
1.0
|
N
|
b:HIS204
|
4.9
|
49.1
|
1.0
|
|
Reference:
I.Ishigami,
N.A.Zatsepin,
M.Hikita,
C.E.Conrad,
G.Nelson,
J.D.Coe,
S.Basu,
T.D.Grant,
M.H.Seaberg,
R.G.Sierra,
M.S.Hunter,
P.Fromme,
R.Fromme,
S.R.Yeh,
D.L.Rousseau.
Crystal Structure of Co-Bound Cytochrome C Oxidase Determined By Serial Femtosecond X-Ray Crystallography at Room Temperature. Proc. Natl. Acad. Sci. V. 114 8011 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28698372
DOI: 10.1073/PNAS.1705628114
Page generated: Wed Jul 31 05:17:29 2024
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