Sodium in PDB 7d5w: Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution
Enzymatic activity of Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution
All present enzymatic activity of Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution:
7.1.1.9;
Protein crystallography data
The structure of Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution, PDB code: 7d5w
was solved by
T.Tsukihara,
A.Shimada,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.92 /
1.84
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
181.435,
203.092,
177.794,
90,
90,
90
|
R / Rfree (%)
|
15.4 /
18.4
|
Other elements in 7d5w:
The structure of Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution also contains other interesting chemical elements:
Sodium Binding Sites:
The binding sites of Sodium atom in the Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution
(pdb code 7d5w). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the
Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution, PDB code: 7d5w:
Jump to Sodium binding site number:
1;
2;
3;
4;
Sodium binding site 1 out
of 4 in 7d5w
Go back to
Sodium Binding Sites List in 7d5w
Sodium binding site 1 out
of 4 in the Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na605
b:24.9
occ:1.00
|
O
|
A:HOH867
|
2.2
|
23.4
|
1.0
|
OE1
|
A:GLU40
|
2.3
|
29.6
|
1.0
|
O
|
A:GLY45
|
2.3
|
30.6
|
1.0
|
O
|
A:SER441
|
2.3
|
26.0
|
1.0
|
O
|
A:GLU40
|
2.4
|
26.1
|
1.0
|
CD
|
A:GLU40
|
3.2
|
29.0
|
1.0
|
C
|
A:GLU40
|
3.4
|
24.8
|
1.0
|
CG
|
A:GLU40
|
3.4
|
25.1
|
1.0
|
O
|
A:HOH828
|
3.4
|
39.7
|
1.0
|
C
|
A:GLY45
|
3.5
|
33.9
|
1.0
|
O
|
A:HOH729
|
3.5
|
27.7
|
0.2
|
C
|
A:SER441
|
3.6
|
28.7
|
1.0
|
CB
|
A:ASP442
|
3.9
|
23.5
|
1.0
|
CA
|
A:ASP442
|
4.0
|
23.3
|
1.0
|
O
|
A:GLN43
|
4.0
|
27.1
|
1.0
|
CA
|
A:THR46
|
4.1
|
31.2
|
1.0
|
OD1
|
A:ASP442
|
4.1
|
29.5
|
1.0
|
CG
|
A:ASP442
|
4.1
|
25.0
|
1.0
|
N
|
A:THR46
|
4.2
|
31.6
|
1.0
|
N
|
A:ASP442
|
4.2
|
21.8
|
1.0
|
CA
|
A:GLU40
|
4.2
|
22.8
|
1.0
|
N
|
A:LEU41
|
4.3
|
24.5
|
1.0
|
CA
|
A:LEU41
|
4.3
|
25.1
|
1.0
|
N
|
A:LEU47
|
4.4
|
30.3
|
1.0
|
OE2
|
A:GLU40
|
4.4
|
29.2
|
1.0
|
N
|
A:GLY45
|
4.4
|
27.4
|
1.0
|
CB
|
A:GLU40
|
4.5
|
22.4
|
1.0
|
CA
|
A:GLY45
|
4.6
|
29.4
|
1.0
|
CD2
|
A:LEU41
|
4.6
|
22.3
|
1.0
|
CA
|
A:SER441
|
4.7
|
27.0
|
1.0
|
C
|
A:THR46
|
4.7
|
38.4
|
1.0
|
OD2
|
A:ASP442
|
4.9
|
26.4
|
1.0
|
CB
|
A:SER441
|
5.0
|
27.0
|
1.0
|
|
Sodium binding site 2 out
of 4 in 7d5w
Go back to
Sodium Binding Sites List in 7d5w
Sodium binding site 2 out
of 4 in the Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na302
b:36.8
occ:1.00
|
O
|
C:HOH524
|
2.2
|
69.6
|
1.0
|
NE2
|
C:HIS148
|
2.2
|
36.4
|
1.0
|
NE2
|
C:HIS232
|
2.4
|
28.9
|
1.0
|
CD2
|
C:HIS232
|
3.1
|
27.4
|
1.0
|
CD2
|
C:HIS148
|
3.2
|
35.1
|
1.0
|
CE1
|
C:HIS148
|
3.2
|
44.3
|
1.0
|
CD
|
C:GLU236
|
3.3
|
53.9
|
1.0
|
CG
|
C:GLU236
|
3.4
|
39.2
|
1.0
|
CE1
|
C:HIS232
|
3.5
|
35.0
|
1.0
|
OE2
|
C:GLU236
|
3.6
|
47.7
|
1.0
|
OE1
|
C:GLU236
|
3.7
|
51.1
|
1.0
|
CG
|
C:MET152
|
4.0
|
28.8
|
1.0
|
SD
|
C:MET152
|
4.1
|
39.6
|
1.0
|
ND1
|
C:HIS148
|
4.3
|
41.6
|
1.0
|
CG
|
C:HIS148
|
4.4
|
37.5
|
1.0
|
CG
|
C:HIS232
|
4.4
|
25.8
|
1.0
|
ND1
|
C:HIS232
|
4.5
|
25.1
|
1.0
|
O
|
C:HOH495
|
4.8
|
48.9
|
1.0
|
CB
|
C:GLU236
|
4.9
|
23.4
|
1.0
|
O
|
C:HOH421
|
5.0
|
27.4
|
1.0
|
|
Sodium binding site 3 out
of 4 in 7d5w
Go back to
Sodium Binding Sites List in 7d5w
Sodium binding site 3 out
of 4 in the Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
N:Na606
b:30.2
occ:1.00
|
O
|
N:HOH881
|
2.2
|
28.6
|
1.0
|
O
|
N:GLY45
|
2.3
|
33.1
|
1.0
|
OE1
|
N:GLU40
|
2.3
|
31.6
|
1.0
|
O
|
N:SER441
|
2.3
|
31.1
|
1.0
|
O
|
N:GLU40
|
2.3
|
30.4
|
1.0
|
CD
|
N:GLU40
|
3.2
|
46.6
|
1.0
|
C
|
N:GLU40
|
3.3
|
33.2
|
1.0
|
CG
|
N:GLU40
|
3.5
|
31.7
|
1.0
|
C
|
N:GLY45
|
3.5
|
48.4
|
1.0
|
O
|
N:HOH846
|
3.5
|
37.2
|
1.0
|
C
|
N:SER441
|
3.5
|
29.2
|
1.0
|
CA
|
N:ASP442
|
4.0
|
33.2
|
1.0
|
O
|
N:GLN43
|
4.0
|
33.9
|
1.0
|
CB
|
N:ASP442
|
4.0
|
31.7
|
1.0
|
OD1
|
N:ASP442
|
4.1
|
32.0
|
1.0
|
CA
|
N:THR46
|
4.1
|
39.9
|
1.0
|
CG
|
N:ASP442
|
4.1
|
32.0
|
1.0
|
CA
|
N:GLU40
|
4.2
|
30.3
|
1.0
|
N
|
N:LEU41
|
4.2
|
31.9
|
1.0
|
N
|
N:ASP442
|
4.2
|
31.3
|
1.0
|
N
|
N:THR46
|
4.2
|
37.6
|
1.0
|
CA
|
N:LEU41
|
4.3
|
32.4
|
1.0
|
CB
|
N:GLU40
|
4.4
|
29.4
|
1.0
|
OE2
|
N:GLU40
|
4.4
|
31.6
|
1.0
|
N
|
N:GLY45
|
4.4
|
34.9
|
1.0
|
N
|
N:LEU47
|
4.5
|
41.3
|
1.0
|
CA
|
N:GLY45
|
4.6
|
31.7
|
1.0
|
CD2
|
N:LEU41
|
4.6
|
25.5
|
1.0
|
CA
|
N:SER441
|
4.6
|
28.4
|
1.0
|
C
|
N:THR46
|
4.8
|
49.6
|
1.0
|
OD2
|
N:ASP442
|
4.9
|
34.1
|
1.0
|
CB
|
N:SER441
|
4.9
|
31.6
|
1.0
|
|
Sodium binding site 4 out
of 4 in 7d5w
Go back to
Sodium Binding Sites List in 7d5w
Sodium binding site 4 out
of 4 in the Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Bovine Heart Cytochrome C Oxidase in A Catalytic Intermediate of O at 1.84 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Na302
b:38.1
occ:1.00
|
O
|
P:HOH530
|
2.0
|
58.5
|
1.0
|
NE2
|
P:HIS148
|
2.2
|
37.8
|
1.0
|
NE2
|
P:HIS232
|
2.4
|
27.3
|
1.0
|
CD2
|
P:HIS232
|
3.1
|
26.8
|
1.0
|
CD
|
P:GLU236
|
3.2
|
80.0
|
1.0
|
CD2
|
P:HIS148
|
3.2
|
32.8
|
1.0
|
CE1
|
P:HIS148
|
3.2
|
40.8
|
1.0
|
CG
|
P:GLU236
|
3.3
|
37.6
|
1.0
|
OE2
|
P:GLU236
|
3.5
|
52.5
|
1.0
|
CE1
|
P:HIS232
|
3.6
|
28.4
|
1.0
|
OE1
|
P:GLU236
|
3.6
|
62.3
|
1.0
|
SD
|
P:MET152
|
4.1
|
38.6
|
1.0
|
CG
|
P:MET152
|
4.2
|
30.5
|
1.0
|
ND1
|
P:HIS148
|
4.3
|
44.4
|
1.0
|
CG
|
P:HIS148
|
4.4
|
28.9
|
1.0
|
CG
|
P:HIS232
|
4.4
|
25.9
|
1.0
|
ND1
|
P:HIS232
|
4.6
|
25.8
|
1.0
|
O
|
P:HOH465
|
4.6
|
49.4
|
1.0
|
CB
|
P:GLU236
|
4.8
|
22.8
|
1.0
|
O
|
P:HOH475
|
4.9
|
28.1
|
1.0
|
|
Reference:
A.Shimada,
F.Hara,
K.Shinzawa-Itoh,
N.Kanehisa,
E.Yamashita,
K.Muramoto,
T.Tsukihara,
S.Yoshikawa.
Critical Roles of the Cub Site in Efficient Proton Pumping As Revealed By Crystal Structures of Mammalian Cytochrome C Oxidase Catalytic Intermediates J.Biol.Chem. 2021.
ISSN: ESSN 1083-351X
Page generated: Tue Oct 8 16:30:20 2024
|