Magnesium in PDB 2jj2: The Structure of F1-Atpase Inhibited By Quercetin.
Enzymatic activity of The Structure of F1-Atpase Inhibited By Quercetin.
All present enzymatic activity of The Structure of F1-Atpase Inhibited By Quercetin.:
3.6.1.34;
Protein crystallography data
The structure of The Structure of F1-Atpase Inhibited By Quercetin., PDB code: 2jj2
was solved by
J.R.Gledhill,
M.G.Montgomery,
A.G.W.Leslie,
J.E.Walker,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
80.58 /
2.40
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
106.399,
282.019,
138.093,
90.00,
90.44,
90.00
|
|
R / Rfree (%)
|
18.8 /
23.8
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the The Structure of F1-Atpase Inhibited By Quercetin.
(pdb code 2jj2). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the
The Structure of F1-Atpase Inhibited By Quercetin., PDB code: 2jj2:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 10 in 2jj2
Go back to
Magnesium Binding Sites List in 2jj2
Magnesium binding site 1 out
of 10 in the The Structure of F1-Atpase Inhibited By Quercetin.
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of The Structure of F1-Atpase Inhibited By Quercetin. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1512
b:28.7
occ:1.00
|
O
|
A:HOH2093
|
2.1
|
24.1
|
1.0
|
|
O
|
A:HOH2175
|
2.1
|
22.0
|
1.0
|
|
O
|
A:HOH2060
|
2.1
|
28.0
|
1.0
|
|
OG1
|
A:THR176
|
2.1
|
24.4
|
1.0
|
|
O2G
|
A:ANP1511
|
2.2
|
26.7
|
1.0
|
|
O2B
|
A:ANP1511
|
2.2
|
24.1
|
1.0
|
|
PB
|
A:ANP1511
|
3.3
|
22.6
|
1.0
|
|
PG
|
A:ANP1511
|
3.3
|
25.4
|
1.0
|
|
CB
|
A:THR176
|
3.4
|
27.1
|
1.0
|
|
N3B
|
A:ANP1511
|
3.5
|
20.2
|
1.0
|
|
N
|
A:THR176
|
3.9
|
25.8
|
1.0
|
|
OD2
|
A:ASP269
|
4.0
|
29.4
|
1.0
|
|
O1G
|
A:ANP1511
|
4.1
|
23.4
|
1.0
|
|
CA
|
A:THR176
|
4.2
|
25.8
|
1.0
|
|
OD1
|
A:ASP269
|
4.2
|
36.0
|
1.0
|
|
O1A
|
A:ANP1511
|
4.2
|
18.2
|
1.0
|
|
O1B
|
A:ANP1511
|
4.3
|
25.4
|
1.0
|
|
O
|
A:HOH2177
|
4.4
|
11.9
|
1.0
|
|
O
|
A:HOH2095
|
4.4
|
14.6
|
1.0
|
|
CG2
|
A:THR176
|
4.4
|
18.1
|
1.0
|
|
O3A
|
A:ANP1511
|
4.4
|
23.1
|
1.0
|
|
O3G
|
A:ANP1511
|
4.5
|
27.1
|
1.0
|
|
O
|
A:HOH2071
|
4.5
|
24.8
|
1.0
|
|
O
|
A:HOH2020
|
4.5
|
23.9
|
1.0
|
|
CG
|
A:ASP269
|
4.6
|
34.0
|
1.0
|
|
O
|
A:HOH2094
|
4.6
|
43.6
|
1.0
|
|
PA
|
A:ANP1511
|
4.7
|
24.3
|
1.0
|
|
O
|
A:HOH2174
|
4.7
|
18.1
|
1.0
|
|
O2A
|
A:ANP1511
|
4.8
|
23.4
|
1.0
|
|
CB
|
A:LYS175
|
4.8
|
22.7
|
1.0
|
|
C
|
A:LYS175
|
5.0
|
24.2
|
1.0
|
|
Magnesium binding site 2 out
of 10 in 2jj2
Go back to
Magnesium Binding Sites List in 2jj2
Magnesium binding site 2 out
of 10 in the The Structure of F1-Atpase Inhibited By Quercetin.
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of The Structure of F1-Atpase Inhibited By Quercetin. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1511
b:29.1
occ:1.00
|
O
|
B:HOH2075
|
2.0
|
28.0
|
1.0
|
|
OG1
|
B:THR176
|
2.1
|
30.3
|
1.0
|
|
O
|
B:HOH2149
|
2.1
|
31.0
|
1.0
|
|
O
|
B:HOH2055
|
2.1
|
31.2
|
1.0
|
|
O2B
|
B:ANP1510
|
2.2
|
24.3
|
1.0
|
|
O2G
|
B:ANP1510
|
2.2
|
26.9
|
1.0
|
|
CB
|
B:THR176
|
3.1
|
28.7
|
1.0
|
|
PB
|
B:ANP1510
|
3.4
|
27.7
|
1.0
|
|
PG
|
B:ANP1510
|
3.4
|
26.8
|
1.0
|
|
N3B
|
B:ANP1510
|
3.6
|
26.0
|
1.0
|
|
O
|
B:HOH2151
|
3.9
|
40.6
|
1.0
|
|
OD1
|
B:ASP269
|
3.9
|
31.4
|
1.0
|
|
N
|
B:THR176
|
3.9
|
31.3
|
1.0
|
|
CA
|
B:THR176
|
4.0
|
30.6
|
1.0
|
|
OD2
|
B:ASP269
|
4.1
|
30.8
|
1.0
|
|
CG2
|
B:THR176
|
4.1
|
25.7
|
1.0
|
|
O1A
|
B:ANP1510
|
4.1
|
22.6
|
1.0
|
|
O
|
B:HOH2077
|
4.2
|
23.8
|
1.0
|
|
O1G
|
B:ANP1510
|
4.3
|
22.3
|
1.0
|
|
O
|
B:HOH2076
|
4.3
|
32.8
|
1.0
|
|
O1B
|
B:ANP1510
|
4.4
|
27.5
|
1.0
|
|
CG
|
B:ASP269
|
4.4
|
34.9
|
1.0
|
|
O3A
|
B:ANP1510
|
4.4
|
25.6
|
1.0
|
|
O3G
|
B:ANP1510
|
4.6
|
30.7
|
1.0
|
|
PA
|
B:ANP1510
|
4.7
|
29.4
|
1.0
|
|
O2A
|
B:ANP1510
|
4.9
|
26.3
|
1.0
|
|
OE1
|
B:GLN208
|
5.0
|
48.0
|
1.0
|
|
Magnesium binding site 3 out
of 10 in 2jj2
Go back to
Magnesium Binding Sites List in 2jj2
Magnesium binding site 3 out
of 10 in the The Structure of F1-Atpase Inhibited By Quercetin.
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of The Structure of F1-Atpase Inhibited By Quercetin. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg1512
b:14.8
occ:1.00
|
O
|
C:HOH2108
|
2.0
|
21.4
|
1.0
|
|
O
|
C:HOH2076
|
2.1
|
17.2
|
1.0
|
|
OG1
|
C:THR176
|
2.1
|
18.8
|
1.0
|
|
O2G
|
C:ANP1511
|
2.1
|
18.4
|
1.0
|
|
O
|
C:HOH2224
|
2.2
|
19.4
|
1.0
|
|
O2B
|
C:ANP1511
|
2.2
|
23.4
|
1.0
|
|
CB
|
C:THR176
|
3.2
|
21.3
|
1.0
|
|
PB
|
C:ANP1511
|
3.4
|
23.2
|
1.0
|
|
PG
|
C:ANP1511
|
3.4
|
20.8
|
1.0
|
|
N3B
|
C:ANP1511
|
3.7
|
24.6
|
1.0
|
|
O
|
C:HOH2223
|
3.7
|
25.3
|
1.0
|
|
OD2
|
C:ASP269
|
3.8
|
20.0
|
1.0
|
|
OD1
|
C:ASP269
|
4.0
|
23.5
|
1.0
|
|
N
|
C:THR176
|
4.0
|
23.6
|
1.0
|
|
CA
|
C:THR176
|
4.2
|
23.6
|
1.0
|
|
O1G
|
C:ANP1511
|
4.2
|
24.2
|
1.0
|
|
CG2
|
C:THR176
|
4.2
|
19.2
|
1.0
|
|
O
|
C:HOH2109
|
4.2
|
12.4
|
1.0
|
|
O1A
|
C:ANP1511
|
4.3
|
20.5
|
1.0
|
|
CG
|
C:ASP269
|
4.3
|
24.2
|
1.0
|
|
O
|
C:HOH2110
|
4.4
|
8.0
|
1.0
|
|
O1B
|
C:ANP1511
|
4.5
|
23.7
|
1.0
|
|
O3A
|
C:ANP1511
|
4.5
|
23.9
|
1.0
|
|
O3G
|
C:ANP1511
|
4.6
|
21.1
|
1.0
|
|
PA
|
C:ANP1511
|
4.7
|
20.4
|
1.0
|
|
O2A
|
C:ANP1511
|
4.9
|
20.6
|
1.0
|
|
Magnesium binding site 4 out
of 10 in 2jj2
Go back to
Magnesium Binding Sites List in 2jj2
Magnesium binding site 4 out
of 10 in the The Structure of F1-Atpase Inhibited By Quercetin.
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of The Structure of F1-Atpase Inhibited By Quercetin. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg1477
b:18.1
occ:1.00
|
O
|
D:HOH2069
|
2.0
|
15.3
|
1.0
|
|
O
|
D:HOH2071
|
2.0
|
15.5
|
1.0
|
|
O
|
D:HOH2176
|
2.0
|
24.8
|
1.0
|
|
OG1
|
D:THR163
|
2.1
|
19.5
|
1.0
|
|
O
|
D:HOH2093
|
2.2
|
19.2
|
1.0
|
|
O2B
|
D:ADP1476
|
2.2
|
25.2
|
1.0
|
|
CB
|
D:THR163
|
3.2
|
21.3
|
1.0
|
|
PB
|
D:ADP1476
|
3.5
|
26.8
|
1.0
|
|
OD2
|
D:ASP256
|
3.7
|
22.5
|
1.0
|
|
O3B
|
D:ADP1476
|
3.7
|
27.2
|
1.0
|
|
NH1
|
D:ARG189
|
3.8
|
20.1
|
1.0
|
|
O
|
D:HOH2179
|
3.9
|
14.8
|
1.0
|
|
OD1
|
D:ASP256
|
3.9
|
27.0
|
1.0
|
|
N
|
D:THR163
|
4.1
|
20.1
|
1.0
|
|
OE1
|
D:GLU188
|
4.1
|
24.3
|
1.0
|
|
OE2
|
D:GLU192
|
4.1
|
26.3
|
1.0
|
|
CA
|
D:THR163
|
4.2
|
21.0
|
1.0
|
|
CG2
|
D:THR163
|
4.2
|
20.0
|
1.0
|
|
OE1
|
D:GLU192
|
4.2
|
32.7
|
1.0
|
|
CG
|
D:ASP256
|
4.2
|
27.6
|
1.0
|
|
O1A
|
D:ADP1476
|
4.4
|
14.8
|
1.0
|
|
O3A
|
D:ADP1476
|
4.4
|
20.5
|
1.0
|
|
CD
|
D:GLU188
|
4.6
|
29.5
|
1.0
|
|
O1B
|
D:ADP1476
|
4.6
|
21.8
|
1.0
|
|
CD
|
D:GLU192
|
4.6
|
26.9
|
1.0
|
|
PA
|
D:ADP1476
|
4.7
|
20.1
|
1.0
|
|
NH1
|
C:ARG373
|
4.7
|
18.2
|
1.0
|
|
N1
|
D:AZI1478
|
4.7
|
12.5
|
1.0
|
|
O
|
C:HOH2153
|
4.7
|
21.2
|
1.0
|
|
CE
|
D:LYS162
|
4.7
|
13.3
|
1.0
|
|
O2A
|
D:ADP1476
|
4.8
|
13.7
|
1.0
|
|
N2
|
D:AZI1478
|
4.8
|
22.1
|
1.0
|
|
CB
|
D:LYS162
|
4.8
|
19.2
|
1.0
|
|
Magnesium binding site 5 out
of 10 in 2jj2
Go back to
Magnesium Binding Sites List in 2jj2
Magnesium binding site 5 out
of 10 in the The Structure of F1-Atpase Inhibited By Quercetin.
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of The Structure of F1-Atpase Inhibited By Quercetin. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg1476
b:18.7
occ:1.00
|
OG1
|
F:THR163
|
2.0
|
18.9
|
1.0
|
|
O
|
F:HOH2202
|
2.1
|
16.9
|
1.0
|
|
O
|
F:HOH2100
|
2.1
|
19.8
|
1.0
|
|
O
|
F:HOH2079
|
2.1
|
17.0
|
1.0
|
|
O2G
|
F:ANP1475
|
2.2
|
13.3
|
1.0
|
|
O2B
|
F:ANP1475
|
2.2
|
21.8
|
1.0
|
|
CB
|
F:THR163
|
3.2
|
22.1
|
1.0
|
|
PB
|
F:ANP1475
|
3.4
|
21.3
|
1.0
|
|
PG
|
F:ANP1475
|
3.4
|
21.9
|
1.0
|
|
N3B
|
F:ANP1475
|
3.6
|
22.1
|
1.0
|
|
N
|
F:THR163
|
3.8
|
22.7
|
1.0
|
|
OD2
|
F:ASP256
|
3.9
|
28.1
|
1.0
|
|
CA
|
F:THR163
|
4.1
|
22.4
|
1.0
|
|
OE2
|
F:GLU192
|
4.1
|
31.1
|
1.0
|
|
NH1
|
F:ARG189
|
4.1
|
17.2
|
1.0
|
|
O
|
F:HOH2102
|
4.1
|
14.9
|
1.0
|
|
OE1
|
F:GLU188
|
4.2
|
28.1
|
1.0
|
|
O1A
|
F:ANP1475
|
4.2
|
19.0
|
1.0
|
|
CG2
|
F:THR163
|
4.2
|
21.1
|
1.0
|
|
OD1
|
F:ASP256
|
4.3
|
31.5
|
1.0
|
|
OE1
|
F:GLU192
|
4.3
|
36.3
|
1.0
|
|
O1B
|
F:ANP1475
|
4.3
|
19.4
|
1.0
|
|
O3G
|
F:ANP1475
|
4.4
|
22.0
|
1.0
|
|
O1G
|
F:ANP1475
|
4.5
|
20.4
|
1.0
|
|
O3A
|
F:ANP1475
|
4.5
|
20.9
|
1.0
|
|
CG
|
F:ASP256
|
4.6
|
26.1
|
1.0
|
|
CD
|
F:GLU192
|
4.6
|
30.2
|
1.0
|
|
CB
|
F:LYS162
|
4.7
|
22.5
|
1.0
|
|
CE
|
F:LYS162
|
4.7
|
15.3
|
1.0
|
|
CD
|
F:GLU188
|
4.7
|
30.2
|
1.0
|
|
PA
|
F:ANP1475
|
4.8
|
16.8
|
1.0
|
|
NH1
|
B:ARG373
|
4.9
|
17.1
|
1.0
|
|
C
|
F:LYS162
|
4.9
|
21.7
|
1.0
|
|
CG
|
F:GLU188
|
5.0
|
22.4
|
1.0
|
|
O2A
|
F:ANP1475
|
5.0
|
22.0
|
1.0
|
|
Magnesium binding site 6 out
of 10 in 2jj2
Go back to
Magnesium Binding Sites List in 2jj2
Magnesium binding site 6 out
of 10 in the The Structure of F1-Atpase Inhibited By Quercetin.
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of The Structure of F1-Atpase Inhibited By Quercetin. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Mg1512
b:25.8
occ:1.00
|
O
|
H:HOH2071
|
2.1
|
20.3
|
1.0
|
|
OG1
|
H:THR176
|
2.1
|
25.1
|
1.0
|
|
O
|
H:HOH2196
|
2.1
|
26.8
|
1.0
|
|
O2B
|
H:ANP1511
|
2.2
|
23.1
|
1.0
|
|
O2G
|
H:ANP1511
|
2.2
|
27.9
|
1.0
|
|
O
|
H:HOH2197
|
2.2
|
26.9
|
1.0
|
|
CB
|
H:THR176
|
3.2
|
26.5
|
1.0
|
|
PB
|
H:ANP1511
|
3.3
|
24.9
|
1.0
|
|
PG
|
H:ANP1511
|
3.4
|
28.0
|
1.0
|
|
N3B
|
H:ANP1511
|
3.6
|
28.0
|
1.0
|
|
O
|
H:HOH2082
|
3.8
|
29.5
|
1.0
|
|
N
|
H:THR176
|
3.9
|
25.8
|
1.0
|
|
O1A
|
H:ANP1511
|
4.0
|
21.0
|
1.0
|
|
OD2
|
H:ASP269
|
4.1
|
29.3
|
1.0
|
|
CA
|
H:THR176
|
4.1
|
26.2
|
1.0
|
|
O1G
|
H:ANP1511
|
4.1
|
25.5
|
1.0
|
|
CG2
|
H:THR176
|
4.2
|
21.3
|
1.0
|
|
OD1
|
H:ASP269
|
4.3
|
31.1
|
1.0
|
|
O3A
|
H:ANP1511
|
4.3
|
29.5
|
1.0
|
|
O1B
|
H:ANP1511
|
4.4
|
34.2
|
1.0
|
|
O
|
H:HOH2100
|
4.5
|
30.2
|
1.0
|
|
O
|
H:HOH2099
|
4.5
|
13.3
|
1.0
|
|
O
|
H:HOH2027
|
4.5
|
23.1
|
1.0
|
|
O3G
|
H:ANP1511
|
4.6
|
26.7
|
1.0
|
|
PA
|
H:ANP1511
|
4.6
|
21.8
|
1.0
|
|
CG
|
H:ASP269
|
4.6
|
30.1
|
1.0
|
|
O
|
H:HOH2200
|
4.7
|
15.5
|
1.0
|
|
O2A
|
H:ANP1511
|
4.9
|
26.0
|
1.0
|
|
Magnesium binding site 7 out
of 10 in 2jj2
Go back to
Magnesium Binding Sites List in 2jj2
Magnesium binding site 7 out
of 10 in the The Structure of F1-Atpase Inhibited By Quercetin.
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of The Structure of F1-Atpase Inhibited By Quercetin. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mg1511
b:29.7
occ:1.00
|
O
|
I:HOH2079
|
2.0
|
32.4
|
1.0
|
|
O
|
I:HOH2150
|
2.0
|
31.0
|
1.0
|
|
OG1
|
I:THR176
|
2.0
|
29.7
|
1.0
|
|
O
|
I:HOH2053
|
2.2
|
31.5
|
1.0
|
|
O2G
|
I:ANP1510
|
2.2
|
20.5
|
1.0
|
|
O2B
|
I:ANP1510
|
2.2
|
26.4
|
1.0
|
|
CB
|
I:THR176
|
3.1
|
31.1
|
1.0
|
|
PB
|
I:ANP1510
|
3.3
|
24.1
|
1.0
|
|
PG
|
I:ANP1510
|
3.3
|
21.6
|
1.0
|
|
N3B
|
I:ANP1510
|
3.4
|
21.7
|
1.0
|
|
N
|
I:THR176
|
3.9
|
32.7
|
1.0
|
|
OD1
|
I:ASP269
|
4.0
|
35.1
|
1.0
|
|
OD2
|
I:ASP269
|
4.0
|
33.2
|
1.0
|
|
O1G
|
I:ANP1510
|
4.1
|
25.5
|
1.0
|
|
O
|
I:HOH2151
|
4.1
|
12.9
|
1.0
|
|
CA
|
I:THR176
|
4.1
|
31.8
|
1.0
|
|
CG2
|
I:THR176
|
4.2
|
24.1
|
1.0
|
|
O1A
|
I:ANP1510
|
4.2
|
25.6
|
1.0
|
|
O1B
|
I:ANP1510
|
4.3
|
29.1
|
1.0
|
|
CG
|
I:ASP269
|
4.4
|
34.5
|
1.0
|
|
O
|
I:HOH2080
|
4.4
|
30.8
|
1.0
|
|
O3A
|
I:ANP1510
|
4.5
|
30.2
|
1.0
|
|
O3G
|
I:ANP1510
|
4.5
|
22.2
|
1.0
|
|
PA
|
I:ANP1510
|
4.7
|
30.5
|
1.0
|
|
O
|
I:HOH2081
|
4.7
|
24.3
|
1.0
|
|
O
|
I:HOH2018
|
4.8
|
17.8
|
1.0
|
|
O2A
|
I:ANP1510
|
4.8
|
28.1
|
1.0
|
|
Magnesium binding site 8 out
of 10 in 2jj2
Go back to
Magnesium Binding Sites List in 2jj2
Magnesium binding site 8 out
of 10 in the The Structure of F1-Atpase Inhibited By Quercetin.
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of The Structure of F1-Atpase Inhibited By Quercetin. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mg1512
b:18.3
occ:1.00
|
O
|
J:HOH2122
|
2.1
|
14.4
|
1.0
|
|
OG1
|
J:THR176
|
2.1
|
22.1
|
1.0
|
|
O
|
J:HOH2228
|
2.1
|
15.6
|
1.0
|
|
O2G
|
J:ANP1511
|
2.2
|
19.6
|
1.0
|
|
O
|
J:HOH2086
|
2.2
|
18.3
|
1.0
|
|
O2B
|
J:ANP1511
|
2.2
|
22.8
|
1.0
|
|
CB
|
J:THR176
|
3.1
|
22.6
|
1.0
|
|
PB
|
J:ANP1511
|
3.4
|
21.4
|
1.0
|
|
PG
|
J:ANP1511
|
3.4
|
23.9
|
1.0
|
|
N3B
|
J:ANP1511
|
3.6
|
21.0
|
1.0
|
|
O
|
J:HOH2231
|
3.9
|
24.7
|
1.0
|
|
N
|
J:THR176
|
3.9
|
22.1
|
1.0
|
|
OD2
|
J:ASP269
|
4.0
|
17.5
|
1.0
|
|
OD1
|
J:ASP269
|
4.1
|
21.6
|
1.0
|
|
CA
|
J:THR176
|
4.1
|
21.9
|
1.0
|
|
CG2
|
J:THR176
|
4.1
|
18.8
|
1.0
|
|
O1A
|
J:ANP1511
|
4.2
|
16.9
|
1.0
|
|
O
|
J:HOH2229
|
4.2
|
25.8
|
1.0
|
|
O
|
J:HOH2123
|
4.2
|
10.2
|
1.0
|
|
O1G
|
J:ANP1511
|
4.3
|
16.7
|
1.0
|
|
O
|
J:HOH2098
|
4.3
|
12.6
|
1.0
|
|
O
|
J:HOH2124
|
4.4
|
2.0
|
1.0
|
|
O1B
|
J:ANP1511
|
4.4
|
23.5
|
1.0
|
|
CG
|
J:ASP269
|
4.5
|
21.9
|
1.0
|
|
O3G
|
J:ANP1511
|
4.5
|
18.6
|
1.0
|
|
O3A
|
J:ANP1511
|
4.5
|
17.2
|
1.0
|
|
PA
|
J:ANP1511
|
4.7
|
17.2
|
1.0
|
|
O
|
J:HOH2037
|
4.8
|
18.5
|
1.0
|
|
O2A
|
J:ANP1511
|
4.9
|
14.8
|
1.0
|
|
O
|
J:HOH2230
|
4.9
|
2.0
|
1.0
|
|
CB
|
J:LYS175
|
5.0
|
22.1
|
1.0
|
|
Magnesium binding site 9 out
of 10 in 2jj2
Go back to
Magnesium Binding Sites List in 2jj2
Magnesium binding site 9 out
of 10 in the The Structure of F1-Atpase Inhibited By Quercetin.
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of The Structure of F1-Atpase Inhibited By Quercetin. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Mg1477
b:22.3
occ:1.00
|
O
|
K:HOH2062
|
2.0
|
21.5
|
1.0
|
|
O
|
K:HOH2083
|
2.0
|
22.6
|
1.0
|
|
O
|
K:HOH2172
|
2.1
|
25.6
|
1.0
|
|
O
|
K:HOH2173
|
2.1
|
20.3
|
1.0
|
|
OG1
|
K:THR163
|
2.2
|
17.4
|
1.0
|
|
O2B
|
K:ADP1476
|
2.3
|
25.9
|
1.0
|
|
CB
|
K:THR163
|
3.3
|
18.6
|
1.0
|
|
PB
|
K:ADP1476
|
3.5
|
24.5
|
1.0
|
|
O3B
|
K:ADP1476
|
3.6
|
24.6
|
1.0
|
|
NH1
|
K:ARG189
|
3.8
|
10.9
|
1.0
|
|
OD2
|
K:ASP256
|
3.9
|
20.5
|
1.0
|
|
O
|
K:HOH2063
|
3.9
|
12.5
|
1.0
|
|
OD1
|
K:ASP256
|
4.0
|
29.8
|
1.0
|
|
N
|
K:THR163
|
4.0
|
19.2
|
1.0
|
|
OE1
|
K:GLU188
|
4.1
|
22.3
|
1.0
|
|
OE2
|
K:GLU192
|
4.2
|
22.3
|
1.0
|
|
CA
|
K:THR163
|
4.2
|
19.9
|
1.0
|
|
OE1
|
K:GLU192
|
4.3
|
22.4
|
1.0
|
|
CG2
|
K:THR163
|
4.3
|
17.5
|
1.0
|
|
CG
|
K:ASP256
|
4.3
|
26.9
|
1.0
|
|
O3A
|
K:ADP1476
|
4.4
|
25.4
|
1.0
|
|
O1A
|
K:ADP1476
|
4.4
|
20.1
|
1.0
|
|
O
|
K:HOH2064
|
4.5
|
13.9
|
1.0
|
|
CE
|
K:LYS162
|
4.6
|
16.4
|
1.0
|
|
CD
|
K:GLU188
|
4.6
|
30.2
|
1.0
|
|
O1B
|
K:ADP1476
|
4.7
|
27.1
|
1.0
|
|
CB
|
K:LYS162
|
4.7
|
22.8
|
1.0
|
|
N1
|
K:AZI1478
|
4.7
|
12.6
|
1.0
|
|
CD
|
K:GLU192
|
4.7
|
24.8
|
1.0
|
|
PA
|
K:ADP1476
|
4.7
|
22.8
|
1.0
|
|
NH1
|
J:ARG373
|
4.7
|
16.1
|
1.0
|
|
N2
|
K:AZI1478
|
4.8
|
18.1
|
1.0
|
|
O2A
|
K:ADP1476
|
4.8
|
21.6
|
1.0
|
|
Magnesium binding site 10 out
of 10 in 2jj2
Go back to
Magnesium Binding Sites List in 2jj2
Magnesium binding site 10 out
of 10 in the The Structure of F1-Atpase Inhibited By Quercetin.
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of The Structure of F1-Atpase Inhibited By Quercetin. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Mg1476
b:16.1
occ:1.00
|
O
|
M:HOH2078
|
2.0
|
11.5
|
1.0
|
|
OG1
|
M:THR163
|
2.0
|
21.2
|
1.0
|
|
O
|
M:HOH2199
|
2.1
|
19.1
|
1.0
|
|
O
|
M:HOH2104
|
2.1
|
20.0
|
1.0
|
|
O2G
|
M:ANP1475
|
2.2
|
18.6
|
1.0
|
|
O2B
|
M:ANP1475
|
2.2
|
20.4
|
1.0
|
|
CB
|
M:THR163
|
3.1
|
21.9
|
1.0
|
|
PB
|
M:ANP1475
|
3.3
|
21.0
|
1.0
|
|
PG
|
M:ANP1475
|
3.5
|
26.5
|
1.0
|
|
N3B
|
M:ANP1475
|
3.7
|
23.7
|
1.0
|
|
NH1
|
M:ARG189
|
3.9
|
16.6
|
1.0
|
|
N
|
M:THR163
|
3.9
|
22.1
|
1.0
|
|
OE2
|
M:GLU192
|
4.0
|
25.8
|
1.0
|
|
OE1
|
M:GLU188
|
4.0
|
31.6
|
1.0
|
|
OD2
|
M:ASP256
|
4.0
|
22.6
|
1.0
|
|
CA
|
M:THR163
|
4.1
|
21.8
|
1.0
|
|
O1A
|
M:ANP1475
|
4.1
|
23.4
|
1.0
|
|
O
|
M:HOH2079
|
4.1
|
18.4
|
1.0
|
|
CG2
|
M:THR163
|
4.2
|
25.3
|
1.0
|
|
OD1
|
M:ASP256
|
4.2
|
29.0
|
1.0
|
|
O1B
|
M:ANP1475
|
4.3
|
25.1
|
1.0
|
|
O3G
|
M:ANP1475
|
4.4
|
26.6
|
1.0
|
|
OE1
|
M:GLU192
|
4.4
|
23.5
|
1.0
|
|
O3A
|
M:ANP1475
|
4.5
|
25.3
|
1.0
|
|
CG
|
M:ASP256
|
4.6
|
26.2
|
1.0
|
|
O1G
|
M:ANP1475
|
4.6
|
23.5
|
1.0
|
|
CD
|
M:GLU192
|
4.6
|
25.6
|
1.0
|
|
PA
|
M:ANP1475
|
4.7
|
20.8
|
1.0
|
|
CD
|
M:GLU188
|
4.7
|
27.8
|
1.0
|
|
CB
|
M:LYS162
|
4.7
|
20.0
|
1.0
|
|
NH1
|
I:ARG373
|
4.7
|
17.2
|
1.0
|
|
CE
|
M:LYS162
|
4.7
|
18.4
|
1.0
|
|
O2A
|
M:ANP1475
|
4.9
|
21.5
|
1.0
|
|
CG
|
M:GLU188
|
5.0
|
22.9
|
1.0
|
|
C
|
M:LYS162
|
5.0
|
22.0
|
1.0
|
|
Reference:
J.R.Gledhill,
M.G.Montgomery,
A.G.W.Leslie,
J.E.Walker.
Mechanism of Inhibition of Bovine F1-Atpase By Resveratrol and Related Polyphenols. Proc.Nat.Acad.Sci.Usa V. 104 13632 2007.
ISSN: ISSN 0027-8424
PubMed: 17698806
DOI: 10.1073/PNAS.0706290104
Page generated: Mon Dec 14 07:29:49 2020
|
