Magnesium in PDB 8q3w: Atp-Bound Istb in Complex to Duplex Dna
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Atp-Bound Istb in Complex to Duplex Dna
(pdb code 8q3w). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the
Atp-Bound Istb in Complex to Duplex Dna, PDB code: 8q3w:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 10 in 8q3w
Go back to
Magnesium Binding Sites List in 8q3w
Magnesium binding site 1 out
of 10 in the Atp-Bound Istb in Complex to Duplex Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Atp-Bound Istb in Complex to Duplex Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg301
b:35.2
occ:1.00
|
O2B
|
A:ATP302
|
2.0
|
54.1
|
1.0
|
|
O3G
|
A:ATP302
|
2.0
|
54.1
|
1.0
|
|
O3B
|
A:ATP302
|
2.0
|
54.1
|
1.0
|
|
OG1
|
A:THR112
|
2.1
|
42.2
|
1.0
|
|
PG
|
A:ATP302
|
2.4
|
54.1
|
1.0
|
|
PB
|
A:ATP302
|
2.5
|
54.1
|
1.0
|
|
O2A
|
A:ATP302
|
3.0
|
54.1
|
1.0
|
|
HB
|
A:THR112
|
3.1
|
42.2
|
1.0
|
|
O1G
|
A:ATP302
|
3.1
|
54.1
|
1.0
|
|
CB
|
A:THR112
|
3.2
|
42.2
|
1.0
|
|
HH22
|
A:ARG237
|
3.2
|
52.2
|
1.0
|
|
H
|
A:THR112
|
3.3
|
42.2
|
1.0
|
|
O3A
|
A:ATP302
|
3.3
|
54.1
|
1.0
|
|
O1B
|
A:ATP302
|
3.7
|
54.1
|
1.0
|
|
O2G
|
A:ATP302
|
3.8
|
54.1
|
1.0
|
|
PA
|
A:ATP302
|
3.8
|
54.1
|
1.0
|
|
NH2
|
A:ARG237
|
4.0
|
52.2
|
1.0
|
|
HG22
|
A:THR112
|
4.0
|
42.2
|
1.0
|
|
N
|
A:THR112
|
4.0
|
42.2
|
1.0
|
|
H
|
A:GLY108
|
4.2
|
49.1
|
1.0
|
|
CG2
|
A:THR112
|
4.2
|
42.2
|
1.0
|
|
HH21
|
A:ARG237
|
4.2
|
52.2
|
1.0
|
|
CA
|
A:THR112
|
4.2
|
42.2
|
1.0
|
|
HG3
|
A:GLU167
|
4.3
|
54.8
|
1.0
|
|
OE2
|
A:GLU167
|
4.3
|
54.8
|
1.0
|
|
HB2
|
A:LYS111
|
4.3
|
45.9
|
1.0
|
|
OD1
|
A:ASP166
|
4.3
|
39.7
|
1.0
|
|
HG2
|
A:GLU167
|
4.3
|
54.8
|
1.0
|
|
HE2
|
A:LYS111
|
4.6
|
45.9
|
1.0
|
|
O1A
|
A:ATP302
|
4.6
|
54.1
|
1.0
|
|
HH12
|
A:ARG237
|
4.6
|
52.2
|
1.0
|
|
HA
|
A:THR112
|
4.6
|
42.2
|
1.0
|
|
HG21
|
A:THR112
|
4.7
|
42.2
|
1.0
|
|
HH
|
A:TYR170
|
4.7
|
58.6
|
1.0
|
|
CG
|
A:GLU167
|
4.7
|
54.8
|
1.0
|
|
HZ1
|
A:LYS111
|
4.7
|
45.9
|
1.0
|
|
HZ3
|
A:LYS111
|
4.8
|
45.9
|
1.0
|
|
H5'2
|
A:ATP302
|
4.8
|
54.1
|
1.0
|
|
HH
|
A:TYR66
|
4.8
|
45.5
|
1.0
|
|
HA2
|
A:GLY108
|
4.9
|
49.1
|
1.0
|
|
HG23
|
A:THR112
|
4.9
|
42.2
|
1.0
|
|
Magnesium binding site 2 out
of 10 in 8q3w
Go back to
Magnesium Binding Sites List in 8q3w
Magnesium binding site 2 out
of 10 in the Atp-Bound Istb in Complex to Duplex Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Atp-Bound Istb in Complex to Duplex Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg301
b:9.2
occ:1.00
|
OG1
|
B:THR112
|
1.9
|
22.2
|
1.0
|
|
O3G
|
B:ATP302
|
1.9
|
21.7
|
1.0
|
|
O3B
|
B:ATP302
|
1.9
|
21.7
|
1.0
|
|
O2B
|
B:ATP302
|
2.0
|
21.7
|
1.0
|
|
PB
|
B:ATP302
|
2.3
|
21.7
|
1.0
|
|
PG
|
B:ATP302
|
2.4
|
21.7
|
1.0
|
|
HB
|
B:THR112
|
2.9
|
22.2
|
1.0
|
|
CB
|
B:THR112
|
3.0
|
22.2
|
1.0
|
|
O3A
|
B:ATP302
|
3.0
|
21.7
|
1.0
|
|
H
|
B:THR112
|
3.1
|
22.2
|
1.0
|
|
O2G
|
B:ATP302
|
3.4
|
21.7
|
1.0
|
|
O1G
|
B:ATP302
|
3.5
|
21.7
|
1.0
|
|
O1B
|
B:ATP302
|
3.7
|
21.7
|
1.0
|
|
N
|
B:THR112
|
3.7
|
22.2
|
1.0
|
|
OD1
|
B:ASP166
|
3.9
|
33.4
|
1.0
|
|
HG22
|
B:THR112
|
3.9
|
22.2
|
1.0
|
|
CA
|
B:THR112
|
3.9
|
22.2
|
1.0
|
|
OD2
|
B:ASP166
|
3.9
|
33.4
|
1.0
|
|
HH22
|
B:ARG237
|
4.0
|
19.4
|
1.0
|
|
HB2
|
B:LYS111
|
4.0
|
23.8
|
1.0
|
|
HH22
|
D:ARG221
|
4.0
|
14.2
|
1.0
|
|
CG2
|
B:THR112
|
4.0
|
22.2
|
1.0
|
|
HE2
|
B:LYS111
|
4.3
|
23.8
|
1.0
|
|
HA
|
B:THR112
|
4.3
|
22.2
|
1.0
|
|
PA
|
B:ATP302
|
4.3
|
21.7
|
1.0
|
|
CG
|
B:ASP166
|
4.3
|
33.4
|
1.0
|
|
HG21
|
B:THR112
|
4.5
|
22.2
|
1.0
|
|
HZ3
|
B:LYS111
|
4.5
|
23.8
|
1.0
|
|
HE2
|
B:TYR170
|
4.5
|
23.1
|
1.0
|
|
HZ1
|
B:LYS111
|
4.6
|
23.8
|
1.0
|
|
NH2
|
B:ARG237
|
4.6
|
19.4
|
1.0
|
|
HB
|
B:THR197
|
4.7
|
27.6
|
1.0
|
|
O1A
|
B:ATP302
|
4.7
|
21.7
|
1.0
|
|
H
|
B:GLY108
|
4.7
|
20.0
|
1.0
|
|
O2A
|
B:ATP302
|
4.8
|
21.7
|
1.0
|
|
HH12
|
D:ARG221
|
4.8
|
14.2
|
1.0
|
|
NH2
|
D:ARG221
|
4.8
|
14.2
|
1.0
|
|
HG23
|
B:THR112
|
4.8
|
22.2
|
1.0
|
|
HH21
|
B:ARG237
|
4.8
|
19.4
|
1.0
|
|
HG1
|
B:THR197
|
4.8
|
27.6
|
1.0
|
|
HH
|
B:TYR170
|
4.8
|
23.1
|
1.0
|
|
NZ
|
B:LYS111
|
4.9
|
23.8
|
1.0
|
|
C
|
B:LYS111
|
4.9
|
23.8
|
1.0
|
|
CB
|
B:LYS111
|
4.9
|
23.8
|
1.0
|
|
HG3
|
B:GLU167
|
5.0
|
33.9
|
1.0
|
|
OG1
|
B:THR197
|
5.0
|
27.6
|
1.0
|
|
Magnesium binding site 3 out
of 10 in 8q3w
Go back to
Magnesium Binding Sites List in 8q3w
Magnesium binding site 3 out
of 10 in the Atp-Bound Istb in Complex to Duplex Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Atp-Bound Istb in Complex to Duplex Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg301
b:16.3
occ:1.00
|
OG1
|
C:THR112
|
1.9
|
10.9
|
1.0
|
|
O3G
|
C:ATP302
|
1.9
|
17.6
|
1.0
|
|
O2B
|
C:ATP302
|
2.0
|
17.6
|
1.0
|
|
PG
|
C:ATP302
|
3.0
|
17.6
|
1.0
|
|
O3B
|
C:ATP302
|
3.1
|
17.6
|
1.0
|
|
PB
|
C:ATP302
|
3.1
|
17.6
|
1.0
|
|
CB
|
C:THR112
|
3.1
|
10.9
|
1.0
|
|
HB
|
C:THR112
|
3.2
|
10.9
|
1.0
|
|
HG3
|
C:GLU167
|
3.4
|
11.6
|
1.0
|
|
HH22
|
A:ARG221
|
3.4
|
19.6
|
1.0
|
|
H
|
C:THR112
|
3.5
|
10.9
|
1.0
|
|
HG2
|
C:GLU167
|
3.6
|
11.6
|
1.0
|
|
OD1
|
C:ASP166
|
3.7
|
7.4
|
1.0
|
|
HG22
|
C:THR112
|
3.8
|
10.9
|
1.0
|
|
O1G
|
C:ATP302
|
3.8
|
17.6
|
1.0
|
|
CG
|
C:GLU167
|
3.9
|
11.6
|
1.0
|
|
OD2
|
C:ASP166
|
3.9
|
7.4
|
1.0
|
|
OE2
|
C:GLU167
|
4.0
|
11.6
|
1.0
|
|
CG2
|
C:THR112
|
4.0
|
10.9
|
1.0
|
|
NH2
|
A:ARG221
|
4.0
|
19.6
|
1.0
|
|
HH22
|
C:ARG237
|
4.0
|
20.3
|
1.0
|
|
N
|
C:THR112
|
4.1
|
10.9
|
1.0
|
|
O1B
|
C:ATP302
|
4.1
|
17.6
|
1.0
|
|
HH21
|
A:ARG221
|
4.1
|
19.6
|
1.0
|
|
O2A
|
C:ATP302
|
4.1
|
17.6
|
1.0
|
|
CA
|
C:THR112
|
4.2
|
10.9
|
1.0
|
|
O3A
|
C:ATP302
|
4.2
|
17.6
|
1.0
|
|
O2G
|
C:ATP302
|
4.2
|
17.6
|
1.0
|
|
CG
|
C:ASP166
|
4.2
|
7.4
|
1.0
|
|
HB2
|
C:LYS111
|
4.3
|
13.0
|
1.0
|
|
HG21
|
C:THR112
|
4.4
|
10.9
|
1.0
|
|
HE2
|
C:TYR170
|
4.4
|
14.6
|
1.0
|
|
HE2
|
C:LYS111
|
4.4
|
13.0
|
1.0
|
|
CD
|
C:GLU167
|
4.4
|
11.6
|
1.0
|
|
HA
|
C:THR112
|
4.5
|
10.9
|
1.0
|
|
HZ1
|
C:LYS111
|
4.5
|
13.0
|
1.0
|
|
HZ3
|
C:LYS111
|
4.7
|
13.0
|
1.0
|
|
PA
|
C:ATP302
|
4.7
|
17.6
|
1.0
|
|
H
|
C:GLU167
|
4.7
|
11.6
|
1.0
|
|
OG1
|
C:THR197
|
4.8
|
10.9
|
1.0
|
|
NH2
|
C:ARG237
|
4.8
|
20.3
|
1.0
|
|
HG23
|
C:THR112
|
4.8
|
10.9
|
1.0
|
|
NZ
|
C:LYS111
|
4.9
|
13.0
|
1.0
|
|
HH21
|
C:ARG237
|
5.0
|
20.3
|
1.0
|
|
Magnesium binding site 4 out
of 10 in 8q3w
Go back to
Magnesium Binding Sites List in 8q3w
Magnesium binding site 4 out
of 10 in the Atp-Bound Istb in Complex to Duplex Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Atp-Bound Istb in Complex to Duplex Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg301
b:5.6
occ:1.00
|
O3G
|
D:ATP302
|
2.0
|
9.5
|
1.0
|
|
OG1
|
D:THR112
|
2.2
|
6.8
|
1.0
|
|
HG22
|
D:THR112
|
3.0
|
6.8
|
1.0
|
|
OD2
|
D:ASP166
|
3.0
|
11.6
|
1.0
|
|
CB
|
D:THR112
|
3.1
|
6.8
|
1.0
|
|
HB
|
D:THR112
|
3.2
|
6.8
|
1.0
|
|
HG3
|
D:GLU167
|
3.2
|
13.9
|
1.0
|
|
PG
|
D:ATP302
|
3.4
|
9.5
|
1.0
|
|
HH22
|
F:ARG221
|
3.5
|
25.8
|
1.0
|
|
CG2
|
D:THR112
|
3.5
|
6.8
|
1.0
|
|
O2B
|
D:ATP302
|
3.5
|
9.5
|
1.0
|
|
OD1
|
D:ASP166
|
3.7
|
11.6
|
1.0
|
|
HH21
|
F:ARG221
|
3.7
|
25.8
|
1.0
|
|
O3B
|
D:ATP302
|
3.7
|
9.5
|
1.0
|
|
HG2
|
D:GLU167
|
3.7
|
13.9
|
1.0
|
|
CG
|
D:ASP166
|
3.7
|
11.6
|
1.0
|
|
OE2
|
D:GLU167
|
3.8
|
13.9
|
1.0
|
|
CG
|
D:GLU167
|
3.8
|
13.9
|
1.0
|
|
NH2
|
F:ARG221
|
3.9
|
25.8
|
1.0
|
|
HG21
|
D:THR112
|
4.0
|
6.8
|
1.0
|
|
O2A
|
D:ATP302
|
4.0
|
9.5
|
1.0
|
|
O2G
|
D:ATP302
|
4.2
|
9.5
|
1.0
|
|
HG23
|
D:THR112
|
4.3
|
6.8
|
1.0
|
|
CD
|
D:GLU167
|
4.3
|
13.9
|
1.0
|
|
PB
|
D:ATP302
|
4.3
|
9.5
|
1.0
|
|
HH22
|
D:ARG237
|
4.4
|
25.8
|
1.0
|
|
H
|
D:THR112
|
4.4
|
6.8
|
1.0
|
|
O1G
|
D:ATP302
|
4.5
|
9.5
|
1.0
|
|
CA
|
D:THR112
|
4.5
|
6.8
|
1.0
|
|
HH
|
D:TYR66
|
4.6
|
6.4
|
1.0
|
|
HE2
|
D:TYR170
|
4.7
|
16.1
|
1.0
|
|
H
|
D:GLU167
|
4.8
|
13.9
|
1.0
|
|
HA
|
D:THR112
|
4.8
|
6.8
|
1.0
|
|
HH21
|
D:ARG237
|
4.8
|
25.8
|
1.0
|
|
N
|
D:THR112
|
4.9
|
6.8
|
1.0
|
|
NH2
|
D:ARG237
|
4.9
|
25.8
|
1.0
|
|
O3A
|
D:ATP302
|
5.0
|
9.5
|
1.0
|
|
Magnesium binding site 5 out
of 10 in 8q3w
Go back to
Magnesium Binding Sites List in 8q3w
Magnesium binding site 5 out
of 10 in the Atp-Bound Istb in Complex to Duplex Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Atp-Bound Istb in Complex to Duplex Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg301
b:21.3
occ:1.00
|
O3G
|
E:ATP302
|
1.9
|
12.5
|
1.0
|
|
OG1
|
E:THR112
|
1.9
|
25.8
|
1.0
|
|
HB
|
E:THR112
|
2.3
|
25.8
|
1.0
|
|
O2B
|
E:ATP302
|
2.4
|
12.5
|
1.0
|
|
CB
|
E:THR112
|
2.6
|
25.8
|
1.0
|
|
O3B
|
E:ATP302
|
2.7
|
12.5
|
1.0
|
|
PG
|
E:ATP302
|
2.8
|
12.5
|
1.0
|
|
PB
|
E:ATP302
|
3.1
|
12.5
|
1.0
|
|
H
|
E:THR112
|
3.2
|
25.8
|
1.0
|
|
O2A
|
E:ATP302
|
3.3
|
12.5
|
1.0
|
|
HG22
|
E:THR112
|
3.4
|
25.8
|
1.0
|
|
CG2
|
E:THR112
|
3.6
|
25.8
|
1.0
|
|
OD1
|
E:ASP166
|
3.6
|
8.7
|
1.0
|
|
HH22
|
C:ARG221
|
3.7
|
20.1
|
1.0
|
|
O1G
|
E:ATP302
|
3.7
|
12.5
|
1.0
|
|
CA
|
E:THR112
|
3.8
|
25.8
|
1.0
|
|
HH22
|
E:ARG237
|
3.8
|
16.9
|
1.0
|
|
N
|
E:THR112
|
3.8
|
25.8
|
1.0
|
|
O3A
|
E:ATP302
|
3.8
|
12.5
|
1.0
|
|
HG3
|
E:GLU167
|
3.9
|
11.4
|
1.0
|
|
PA
|
E:ATP302
|
4.0
|
12.5
|
1.0
|
|
O2G
|
E:ATP302
|
4.0
|
12.5
|
1.0
|
|
OD2
|
E:ASP166
|
4.1
|
8.7
|
1.0
|
|
HG23
|
E:THR112
|
4.1
|
25.8
|
1.0
|
|
HG2
|
E:GLU167
|
4.2
|
11.4
|
1.0
|
|
HA
|
E:THR112
|
4.2
|
25.8
|
1.0
|
|
HG21
|
E:THR112
|
4.3
|
25.8
|
1.0
|
|
CG
|
E:ASP166
|
4.3
|
8.7
|
1.0
|
|
NH2
|
C:ARG221
|
4.3
|
20.1
|
1.0
|
|
O1A
|
E:ATP302
|
4.3
|
12.5
|
1.0
|
|
O1B
|
E:ATP302
|
4.4
|
12.5
|
1.0
|
|
HH21
|
C:ARG221
|
4.4
|
20.1
|
1.0
|
|
HH
|
E:TYR66
|
4.4
|
14.1
|
1.0
|
|
OE2
|
E:GLU167
|
4.4
|
11.4
|
1.0
|
|
HB2
|
E:LYS111
|
4.4
|
25.8
|
1.0
|
|
CG
|
E:GLU167
|
4.5
|
11.4
|
1.0
|
|
NH2
|
E:ARG237
|
4.5
|
16.9
|
1.0
|
|
HH21
|
E:ARG237
|
4.7
|
16.9
|
1.0
|
|
HZ3
|
E:LYS111
|
4.8
|
25.8
|
1.0
|
|
HE2
|
E:TYR170
|
4.8
|
10.5
|
1.0
|
|
HZ1
|
E:LYS111
|
4.8
|
25.8
|
1.0
|
|
OH
|
E:TYR66
|
4.9
|
14.1
|
1.0
|
|
C
|
E:THR112
|
4.9
|
25.8
|
1.0
|
|
H
|
E:HIS113
|
4.9
|
13.5
|
1.0
|
|
OG1
|
E:THR197
|
4.9
|
11.3
|
1.0
|
|
HE2
|
E:LYS111
|
4.9
|
25.8
|
1.0
|
|
CD
|
E:GLU167
|
5.0
|
11.4
|
1.0
|
|
Magnesium binding site 6 out
of 10 in 8q3w
Go back to
Magnesium Binding Sites List in 8q3w
Magnesium binding site 6 out
of 10 in the Atp-Bound Istb in Complex to Duplex Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Atp-Bound Istb in Complex to Duplex Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg301
b:21.6
occ:1.00
|
O3G
|
F:ATP302
|
1.9
|
25.8
|
1.0
|
|
OG1
|
F:THR112
|
1.9
|
25.8
|
1.0
|
|
HB
|
F:THR112
|
2.3
|
25.8
|
1.0
|
|
O2B
|
F:ATP302
|
2.4
|
25.8
|
1.0
|
|
CB
|
F:THR112
|
2.6
|
25.8
|
1.0
|
|
O3B
|
F:ATP302
|
2.7
|
25.8
|
1.0
|
|
PG
|
F:ATP302
|
2.8
|
25.8
|
1.0
|
|
PB
|
F:ATP302
|
3.1
|
25.8
|
1.0
|
|
H
|
F:THR112
|
3.2
|
25.8
|
1.0
|
|
O2A
|
F:ATP302
|
3.3
|
25.8
|
1.0
|
|
HG22
|
F:THR112
|
3.4
|
25.8
|
1.0
|
|
CG2
|
F:THR112
|
3.6
|
25.8
|
1.0
|
|
OD1
|
F:ASP166
|
3.6
|
9.1
|
1.0
|
|
HH22
|
H:ARG221
|
3.7
|
16.0
|
1.0
|
|
O1G
|
F:ATP302
|
3.7
|
25.8
|
1.0
|
|
CA
|
F:THR112
|
3.8
|
25.8
|
1.0
|
|
HH22
|
F:ARG237
|
3.8
|
27.6
|
1.0
|
|
N
|
F:THR112
|
3.8
|
25.8
|
1.0
|
|
O3A
|
F:ATP302
|
3.8
|
25.8
|
1.0
|
|
HG3
|
F:GLU167
|
3.9
|
12.5
|
1.0
|
|
PA
|
F:ATP302
|
4.0
|
25.8
|
1.0
|
|
O2G
|
F:ATP302
|
4.0
|
25.8
|
1.0
|
|
OD2
|
F:ASP166
|
4.1
|
9.1
|
1.0
|
|
HG23
|
F:THR112
|
4.1
|
25.8
|
1.0
|
|
HG2
|
F:GLU167
|
4.2
|
12.5
|
1.0
|
|
HA
|
F:THR112
|
4.2
|
25.8
|
1.0
|
|
HG21
|
F:THR112
|
4.3
|
25.8
|
1.0
|
|
CG
|
F:ASP166
|
4.3
|
9.1
|
1.0
|
|
NH2
|
H:ARG221
|
4.3
|
16.0
|
1.0
|
|
O1A
|
F:ATP302
|
4.3
|
25.8
|
1.0
|
|
O1B
|
F:ATP302
|
4.4
|
25.8
|
1.0
|
|
HH21
|
H:ARG221
|
4.4
|
16.0
|
1.0
|
|
HH
|
F:TYR66
|
4.4
|
16.9
|
1.0
|
|
OE2
|
F:GLU167
|
4.4
|
12.5
|
1.0
|
|
HB2
|
F:LYS111
|
4.4
|
15.9
|
1.0
|
|
CG
|
F:GLU167
|
4.5
|
12.5
|
1.0
|
|
NH2
|
F:ARG237
|
4.5
|
27.6
|
1.0
|
|
HH21
|
F:ARG237
|
4.7
|
27.6
|
1.0
|
|
HZ3
|
F:LYS111
|
4.8
|
15.9
|
1.0
|
|
HE2
|
F:TYR170
|
4.8
|
11.7
|
1.0
|
|
HZ1
|
F:LYS111
|
4.8
|
15.9
|
1.0
|
|
OH
|
F:TYR66
|
4.9
|
16.9
|
1.0
|
|
C
|
F:THR112
|
4.9
|
25.8
|
1.0
|
|
H
|
F:HIS113
|
4.9
|
15.8
|
1.0
|
|
OG1
|
F:THR197
|
4.9
|
9.9
|
1.0
|
|
HE2
|
F:LYS111
|
4.9
|
15.9
|
1.0
|
|
CD
|
F:GLU167
|
5.0
|
12.5
|
1.0
|
|
Magnesium binding site 7 out
of 10 in 8q3w
Go back to
Magnesium Binding Sites List in 8q3w
Magnesium binding site 7 out
of 10 in the Atp-Bound Istb in Complex to Duplex Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Atp-Bound Istb in Complex to Duplex Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg301
b:7.0
occ:1.00
|
O3G
|
G:ATP302
|
2.0
|
8.8
|
1.0
|
|
OG1
|
G:THR112
|
2.2
|
6.5
|
1.0
|
|
HG22
|
G:THR112
|
3.0
|
6.5
|
1.0
|
|
OD2
|
G:ASP166
|
3.0
|
10.8
|
1.0
|
|
CB
|
G:THR112
|
3.1
|
6.5
|
1.0
|
|
HB
|
G:THR112
|
3.2
|
6.5
|
1.0
|
|
HG3
|
G:GLU167
|
3.2
|
12.8
|
1.0
|
|
PG
|
G:ATP302
|
3.4
|
8.8
|
1.0
|
|
HH22
|
E:ARG221
|
3.5
|
25.8
|
1.0
|
|
CG2
|
G:THR112
|
3.5
|
6.5
|
1.0
|
|
O2B
|
G:ATP302
|
3.6
|
8.8
|
1.0
|
|
OD1
|
G:ASP166
|
3.7
|
10.8
|
1.0
|
|
HH21
|
E:ARG221
|
3.7
|
25.8
|
1.0
|
|
O3B
|
G:ATP302
|
3.7
|
8.8
|
1.0
|
|
HG2
|
G:GLU167
|
3.7
|
12.8
|
1.0
|
|
CG
|
G:ASP166
|
3.7
|
10.8
|
1.0
|
|
OE2
|
G:GLU167
|
3.8
|
12.8
|
1.0
|
|
CG
|
G:GLU167
|
3.8
|
12.8
|
1.0
|
|
NH2
|
E:ARG221
|
3.9
|
25.8
|
1.0
|
|
HG21
|
G:THR112
|
4.0
|
6.5
|
1.0
|
|
O2A
|
G:ATP302
|
4.0
|
8.8
|
1.0
|
|
O2G
|
G:ATP302
|
4.2
|
8.8
|
1.0
|
|
HG23
|
G:THR112
|
4.3
|
6.5
|
1.0
|
|
CD
|
G:GLU167
|
4.3
|
12.8
|
1.0
|
|
PB
|
G:ATP302
|
4.3
|
8.8
|
1.0
|
|
HH22
|
G:ARG237
|
4.4
|
25.8
|
1.0
|
|
H
|
G:THR112
|
4.4
|
6.5
|
1.0
|
|
O1G
|
G:ATP302
|
4.5
|
8.8
|
1.0
|
|
CA
|
G:THR112
|
4.5
|
6.5
|
1.0
|
|
HH
|
G:TYR66
|
4.6
|
5.7
|
1.0
|
|
HE2
|
G:TYR170
|
4.7
|
14.0
|
1.0
|
|
H
|
G:GLU167
|
4.8
|
12.8
|
1.0
|
|
HA
|
G:THR112
|
4.8
|
6.5
|
1.0
|
|
HH21
|
G:ARG237
|
4.8
|
25.8
|
1.0
|
|
N
|
G:THR112
|
4.9
|
6.5
|
1.0
|
|
NH2
|
G:ARG237
|
4.9
|
25.8
|
1.0
|
|
O3A
|
G:ATP302
|
5.0
|
8.8
|
1.0
|
|
Magnesium binding site 8 out
of 10 in 8q3w
Go back to
Magnesium Binding Sites List in 8q3w
Magnesium binding site 8 out
of 10 in the Atp-Bound Istb in Complex to Duplex Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Atp-Bound Istb in Complex to Duplex Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Mg301
b:21.2
occ:1.00
|
OG1
|
H:THR112
|
1.9
|
11.2
|
1.0
|
|
O3G
|
H:ATP302
|
1.9
|
17.2
|
1.0
|
|
O2B
|
H:ATP302
|
2.0
|
17.2
|
1.0
|
|
PG
|
H:ATP302
|
3.0
|
17.2
|
1.0
|
|
O3B
|
H:ATP302
|
3.1
|
17.2
|
1.0
|
|
PB
|
H:ATP302
|
3.1
|
17.2
|
1.0
|
|
CB
|
H:THR112
|
3.1
|
11.2
|
1.0
|
|
HB
|
H:THR112
|
3.2
|
11.2
|
1.0
|
|
HG3
|
H:GLU167
|
3.4
|
11.6
|
1.0
|
|
HH22
|
J:ARG221
|
3.4
|
19.7
|
1.0
|
|
H
|
H:THR112
|
3.5
|
11.2
|
1.0
|
|
HG2
|
H:GLU167
|
3.6
|
11.6
|
1.0
|
|
OD1
|
H:ASP166
|
3.7
|
7.5
|
1.0
|
|
HG22
|
H:THR112
|
3.8
|
11.2
|
1.0
|
|
O1G
|
H:ATP302
|
3.8
|
17.2
|
1.0
|
|
CG
|
H:GLU167
|
3.9
|
11.6
|
1.0
|
|
OD2
|
H:ASP166
|
4.0
|
7.5
|
1.0
|
|
OE2
|
H:GLU167
|
4.0
|
11.6
|
1.0
|
|
CG2
|
H:THR112
|
4.0
|
11.2
|
1.0
|
|
HH22
|
H:ARG237
|
4.0
|
21.4
|
1.0
|
|
NH2
|
J:ARG221
|
4.0
|
19.7
|
1.0
|
|
N
|
H:THR112
|
4.1
|
11.2
|
1.0
|
|
O1B
|
H:ATP302
|
4.1
|
17.2
|
1.0
|
|
HH21
|
J:ARG221
|
4.1
|
19.7
|
1.0
|
|
O2A
|
H:ATP302
|
4.1
|
17.2
|
1.0
|
|
CA
|
H:THR112
|
4.1
|
11.2
|
1.0
|
|
O3A
|
H:ATP302
|
4.2
|
17.2
|
1.0
|
|
O2G
|
H:ATP302
|
4.2
|
17.2
|
1.0
|
|
CG
|
H:ASP166
|
4.2
|
7.5
|
1.0
|
|
HB2
|
H:LYS111
|
4.3
|
12.2
|
1.0
|
|
HE2
|
H:TYR170
|
4.4
|
14.3
|
1.0
|
|
HE2
|
H:LYS111
|
4.4
|
12.2
|
1.0
|
|
HG21
|
H:THR112
|
4.4
|
11.2
|
1.0
|
|
HA
|
H:THR112
|
4.4
|
11.2
|
1.0
|
|
CD
|
H:GLU167
|
4.5
|
11.6
|
1.0
|
|
HZ1
|
H:LYS111
|
4.5
|
12.2
|
1.0
|
|
HZ3
|
H:LYS111
|
4.7
|
12.2
|
1.0
|
|
PA
|
H:ATP302
|
4.7
|
17.2
|
1.0
|
|
H
|
H:GLU167
|
4.8
|
11.6
|
1.0
|
|
OG1
|
H:THR197
|
4.8
|
11.1
|
1.0
|
|
NH2
|
H:ARG237
|
4.8
|
21.4
|
1.0
|
|
HG23
|
H:THR112
|
4.8
|
11.2
|
1.0
|
|
NZ
|
H:LYS111
|
4.9
|
12.2
|
1.0
|
|
HH21
|
H:ARG237
|
5.0
|
21.4
|
1.0
|
|
Magnesium binding site 9 out
of 10 in 8q3w
Go back to
Magnesium Binding Sites List in 8q3w
Magnesium binding site 9 out
of 10 in the Atp-Bound Istb in Complex to Duplex Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Atp-Bound Istb in Complex to Duplex Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mg301
b:9.7
occ:1.00
|
OG1
|
I:THR112
|
1.9
|
22.4
|
1.0
|
|
O3G
|
I:ATP302
|
1.9
|
21.9
|
1.0
|
|
O3B
|
I:ATP302
|
1.9
|
21.9
|
1.0
|
|
O2B
|
I:ATP302
|
2.0
|
21.9
|
1.0
|
|
PB
|
I:ATP302
|
2.3
|
21.9
|
1.0
|
|
PG
|
I:ATP302
|
2.4
|
21.9
|
1.0
|
|
HB
|
I:THR112
|
2.9
|
22.4
|
1.0
|
|
CB
|
I:THR112
|
3.0
|
22.4
|
1.0
|
|
O3A
|
I:ATP302
|
3.0
|
21.9
|
1.0
|
|
H
|
I:THR112
|
3.1
|
22.4
|
1.0
|
|
O2G
|
I:ATP302
|
3.4
|
21.9
|
1.0
|
|
O1G
|
I:ATP302
|
3.5
|
21.9
|
1.0
|
|
O1B
|
I:ATP302
|
3.7
|
21.9
|
1.0
|
|
N
|
I:THR112
|
3.7
|
22.4
|
1.0
|
|
OD1
|
I:ASP166
|
3.9
|
33.2
|
1.0
|
|
HG22
|
I:THR112
|
3.9
|
22.4
|
1.0
|
|
CA
|
I:THR112
|
3.9
|
22.4
|
1.0
|
|
OD2
|
I:ASP166
|
3.9
|
33.2
|
1.0
|
|
HH22
|
I:ARG237
|
4.0
|
19.6
|
1.0
|
|
HB2
|
I:LYS111
|
4.0
|
24.4
|
1.0
|
|
HH22
|
G:ARG221
|
4.0
|
13.8
|
1.0
|
|
CG2
|
I:THR112
|
4.0
|
22.4
|
1.0
|
|
HE2
|
I:LYS111
|
4.3
|
24.4
|
1.0
|
|
HA
|
I:THR112
|
4.3
|
22.4
|
1.0
|
|
PA
|
I:ATP302
|
4.3
|
21.9
|
1.0
|
|
CG
|
I:ASP166
|
4.3
|
33.2
|
1.0
|
|
HG21
|
I:THR112
|
4.5
|
22.4
|
1.0
|
|
HZ3
|
I:LYS111
|
4.5
|
24.4
|
1.0
|
|
HE2
|
I:TYR170
|
4.5
|
23.2
|
1.0
|
|
HZ1
|
I:LYS111
|
4.6
|
24.4
|
1.0
|
|
NH2
|
I:ARG237
|
4.6
|
19.6
|
1.0
|
|
HB
|
I:THR197
|
4.7
|
27.8
|
1.0
|
|
O1A
|
I:ATP302
|
4.7
|
21.9
|
1.0
|
|
H
|
I:GLY108
|
4.7
|
20.6
|
1.0
|
|
O2A
|
I:ATP302
|
4.8
|
21.9
|
1.0
|
|
HH12
|
G:ARG221
|
4.8
|
13.8
|
1.0
|
|
NH2
|
G:ARG221
|
4.8
|
13.8
|
1.0
|
|
HG23
|
I:THR112
|
4.8
|
22.4
|
1.0
|
|
HH21
|
I:ARG237
|
4.8
|
19.6
|
1.0
|
|
HG1
|
I:THR197
|
4.8
|
27.8
|
1.0
|
|
HH
|
I:TYR170
|
4.8
|
23.2
|
1.0
|
|
NZ
|
I:LYS111
|
4.9
|
24.4
|
1.0
|
|
C
|
I:LYS111
|
4.9
|
24.4
|
1.0
|
|
CB
|
I:LYS111
|
4.9
|
24.4
|
1.0
|
|
HG3
|
I:GLU167
|
5.0
|
34.0
|
1.0
|
|
OG1
|
I:THR197
|
5.0
|
27.8
|
1.0
|
|
Magnesium binding site 10 out
of 10 in 8q3w
Go back to
Magnesium Binding Sites List in 8q3w
Magnesium binding site 10 out
of 10 in the Atp-Bound Istb in Complex to Duplex Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Atp-Bound Istb in Complex to Duplex Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mg301
b:29.7
occ:1.00
|
O2B
|
J:ATP302
|
2.0
|
55.1
|
1.0
|
|
O3G
|
J:ATP302
|
2.0
|
55.1
|
1.0
|
|
O3B
|
J:ATP302
|
2.0
|
55.1
|
1.0
|
|
OG1
|
J:THR112
|
2.1
|
42.0
|
1.0
|
|
PG
|
J:ATP302
|
2.4
|
55.1
|
1.0
|
|
PB
|
J:ATP302
|
2.5
|
55.1
|
1.0
|
|
O2A
|
J:ATP302
|
3.0
|
55.1
|
1.0
|
|
HB
|
J:THR112
|
3.1
|
42.0
|
1.0
|
|
O1G
|
J:ATP302
|
3.1
|
55.1
|
1.0
|
|
CB
|
J:THR112
|
3.2
|
42.0
|
1.0
|
|
HH22
|
J:ARG237
|
3.2
|
54.5
|
1.0
|
|
H
|
J:THR112
|
3.3
|
42.0
|
1.0
|
|
O3A
|
J:ATP302
|
3.3
|
55.1
|
1.0
|
|
O1B
|
J:ATP302
|
3.7
|
55.1
|
1.0
|
|
O2G
|
J:ATP302
|
3.8
|
55.1
|
1.0
|
|
PA
|
J:ATP302
|
3.8
|
55.1
|
1.0
|
|
NH2
|
J:ARG237
|
4.0
|
54.5
|
1.0
|
|
HG22
|
J:THR112
|
4.0
|
42.0
|
1.0
|
|
N
|
J:THR112
|
4.0
|
42.0
|
1.0
|
|
H
|
J:GLY108
|
4.2
|
50.4
|
1.0
|
|
CG2
|
J:THR112
|
4.2
|
42.0
|
1.0
|
|
HH21
|
J:ARG237
|
4.2
|
54.5
|
1.0
|
|
CA
|
J:THR112
|
4.2
|
42.0
|
1.0
|
|
HG3
|
J:GLU167
|
4.3
|
55.4
|
1.0
|
|
OE2
|
J:GLU167
|
4.3
|
55.4
|
1.0
|
|
HB2
|
J:LYS111
|
4.3
|
46.3
|
1.0
|
|
OD1
|
J:ASP166
|
4.3
|
40.0
|
1.0
|
|
HG2
|
J:GLU167
|
4.3
|
55.4
|
1.0
|
|
HE2
|
J:LYS111
|
4.6
|
46.3
|
1.0
|
|
O1A
|
J:ATP302
|
4.6
|
55.1
|
1.0
|
|
HH12
|
J:ARG237
|
4.6
|
54.5
|
1.0
|
|
HA
|
J:THR112
|
4.6
|
42.0
|
1.0
|
|
HG21
|
J:THR112
|
4.7
|
42.0
|
1.0
|
|
HH
|
J:TYR170
|
4.7
|
59.1
|
1.0
|
|
CG
|
J:GLU167
|
4.7
|
55.4
|
1.0
|
|
HZ1
|
J:LYS111
|
4.7
|
46.3
|
1.0
|
|
HZ3
|
J:LYS111
|
4.8
|
46.3
|
1.0
|
|
H5'2
|
J:ATP302
|
4.8
|
55.1
|
1.0
|
|
HH
|
J:TYR66
|
4.8
|
45.8
|
1.0
|
|
HA2
|
J:GLY108
|
4.9
|
50.4
|
1.0
|
|
HG23
|
J:THR112
|
4.9
|
42.0
|
1.0
|
|
Reference:
A.De La Gandara,
M.Spinola-Amilibia,
L.Araujo-Bazan,
R.Nunez-Ramirez,
J.M.Berger,
E.Arias-Palomo.
Molecular Basis For Transposase Activation By A Dedicated Aaa+ Atpase. Nature V. 630 1003 2024.
ISSN: ESSN 1476-4687
PubMed: 38926614
DOI: 10.1038/S41586-024-07550-6
Page generated: Fri Oct 4 16:32:13 2024
|
