Strontium in PDB 8amn: Crystal Structure of Auguggcau Duplex with Strontium Ions
Protein crystallography data
The structure of Crystal Structure of Auguggcau Duplex with Strontium Ions, PDB code: 8amn
was solved by
A.Kiliszek,
W.Rypniewski,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.05 /
2.46
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
28.102,
90.131,
138.182,
90,
91.39,
90
|
R / Rfree (%)
|
19.9 /
24.8
|
Strontium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
22;
Binding sites:
The binding sites of Strontium atom in the Crystal Structure of Auguggcau Duplex with Strontium Ions
(pdb code 8amn). This binding sites where shown within
5.0 Angstroms radius around Strontium atom.
In total 22 binding sites of Strontium where determined in the
Crystal Structure of Auguggcau Duplex with Strontium Ions, PDB code: 8amn:
Jump to Strontium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Strontium binding site 1 out
of 22 in 8amn
Go back to
Strontium Binding Sites List in 8amn
Strontium binding site 1 out
of 22 in the Crystal Structure of Auguggcau Duplex with Strontium Ions
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 1 of Crystal Structure of Auguggcau Duplex with Strontium Ions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Sr101
b:134.7
occ:1.00
|
O6
|
B:G5
|
2.3
|
48.4
|
0.6
|
O6
|
A:G5
|
2.6
|
56.0
|
0.5
|
O6
|
A:G5
|
2.7
|
57.4
|
0.6
|
O4
|
B:U4
|
2.7
|
47.7
|
1.0
|
O
|
A:HOH101
|
2.9
|
90.7
|
1.0
|
O6
|
B:G5
|
2.9
|
48.8
|
0.5
|
O
|
B:HOH202
|
3.4
|
80.1
|
1.0
|
C6
|
B:G5
|
3.5
|
49.2
|
0.6
|
O4
|
A:U4
|
3.5
|
61.5
|
1.0
|
O
|
B:HOH201
|
3.7
|
76.4
|
1.0
|
C4
|
B:U4
|
3.8
|
47.8
|
1.0
|
C6
|
A:G5
|
3.8
|
56.0
|
0.5
|
C6
|
A:G5
|
3.8
|
60.5
|
0.6
|
C6
|
B:G5
|
3.8
|
49.7
|
0.5
|
N1
|
B:G5
|
4.0
|
50.6
|
0.5
|
N1
|
B:G5
|
4.1
|
49.7
|
0.6
|
O6
|
A:G6
|
4.1
|
51.7
|
1.0
|
N3
|
B:U4
|
4.4
|
48.3
|
1.0
|
N1
|
A:G5
|
4.4
|
65.2
|
0.6
|
N1
|
A:G5
|
4.4
|
53.1
|
0.5
|
C5
|
B:G5
|
4.6
|
50.7
|
0.6
|
C4
|
A:U4
|
4.6
|
64.6
|
1.0
|
C5
|
B:U4
|
4.8
|
48.8
|
1.0
|
O6
|
B:G6
|
4.9
|
54.0
|
1.0
|
C5
|
A:G5
|
4.9
|
59.1
|
0.5
|
C5
|
A:G5
|
5.0
|
60.0
|
0.6
|
|
Strontium binding site 2 out
of 22 in 8amn
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Strontium Binding Sites List in 8amn
Strontium binding site 2 out
of 22 in the Crystal Structure of Auguggcau Duplex with Strontium Ions
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 2 of Crystal Structure of Auguggcau Duplex with Strontium Ions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Sr101
b:175.8
occ:1.00
|
O6
|
D:G5
|
2.5
|
77.5
|
1.0
|
O4
|
C:U4
|
2.8
|
61.8
|
1.0
|
O6
|
C:G3
|
3.1
|
56.5
|
1.0
|
O6
|
D:G6
|
3.2
|
70.6
|
1.0
|
C6
|
D:G5
|
3.5
|
77.6
|
1.0
|
C4
|
C:U4
|
3.8
|
67.9
|
1.0
|
O6
|
C:G5
|
4.0
|
74.9
|
1.0
|
N3
|
C:U4
|
4.1
|
69.0
|
1.0
|
C6
|
C:G3
|
4.1
|
62.7
|
1.0
|
O4
|
D:U4
|
4.3
|
77.7
|
1.0
|
N1
|
D:G5
|
4.3
|
74.8
|
1.0
|
C6
|
D:G6
|
4.3
|
69.7
|
1.0
|
SR
|
C:SR102
|
4.4
|
172.5
|
1.0
|
N4
|
D:C7
|
4.5
|
68.0
|
1.0
|
C5
|
D:G5
|
4.5
|
80.4
|
1.0
|
N7
|
C:G3
|
4.6
|
64.4
|
1.0
|
C5
|
C:G3
|
4.7
|
67.1
|
1.0
|
N7
|
D:G5
|
4.8
|
83.3
|
1.0
|
O4
|
C:U2
|
4.8
|
63.0
|
1.0
|
N7
|
D:G6
|
4.8
|
75.3
|
1.0
|
C6
|
C:G5
|
4.9
|
82.8
|
1.0
|
C5
|
D:G6
|
5.0
|
71.9
|
1.0
|
|
Strontium binding site 3 out
of 22 in 8amn
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Strontium Binding Sites List in 8amn
Strontium binding site 3 out
of 22 in the Crystal Structure of Auguggcau Duplex with Strontium Ions
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 3 of Crystal Structure of Auguggcau Duplex with Strontium Ions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Sr102
b:172.5
occ:1.00
|
O6
|
C:G5
|
2.8
|
74.9
|
1.0
|
O6
|
C:G6
|
3.2
|
59.5
|
1.0
|
O4
|
D:U4
|
3.2
|
77.7
|
1.0
|
C6
|
C:G5
|
3.5
|
82.8
|
1.0
|
O6
|
D:G3
|
3.5
|
69.8
|
1.0
|
N1
|
C:G5
|
3.5
|
88.3
|
1.0
|
O6
|
D:G5
|
3.5
|
77.5
|
1.0
|
O4
|
C:U4
|
3.9
|
61.8
|
1.0
|
C4
|
D:U4
|
4.2
|
80.0
|
1.0
|
C6
|
C:G6
|
4.2
|
62.5
|
1.0
|
C6
|
D:G5
|
4.2
|
77.6
|
1.0
|
N3
|
D:U4
|
4.3
|
79.7
|
1.0
|
SR
|
C:SR101
|
4.4
|
175.8
|
1.0
|
N1
|
D:G5
|
4.4
|
74.8
|
1.0
|
C6
|
D:G3
|
4.5
|
72.4
|
1.0
|
N7
|
C:G6
|
4.5
|
78.5
|
1.0
|
N4
|
C:C7
|
4.6
|
65.7
|
1.0
|
C4
|
C:U4
|
4.7
|
67.9
|
1.0
|
C2
|
C:G5
|
4.7
|
92.1
|
1.0
|
C5
|
C:G6
|
4.7
|
70.5
|
1.0
|
C5
|
C:G5
|
4.7
|
86.3
|
1.0
|
|
Strontium binding site 4 out
of 22 in 8amn
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Strontium Binding Sites List in 8amn
Strontium binding site 4 out
of 22 in the Crystal Structure of Auguggcau Duplex with Strontium Ions
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 4 of Crystal Structure of Auguggcau Duplex with Strontium Ions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Sr101
b:125.2
occ:1.00
|
O
|
F:HOH101
|
2.3
|
53.2
|
1.0
|
O6
|
F:G5
|
2.5
|
86.7
|
1.0
|
O6
|
E:G5
|
2.5
|
68.4
|
1.0
|
O4
|
E:U4
|
3.1
|
67.0
|
1.0
|
C6
|
F:G5
|
3.5
|
85.6
|
1.0
|
C6
|
E:G5
|
3.6
|
72.9
|
1.0
|
O4
|
F:U4
|
3.6
|
74.7
|
1.0
|
O
|
E:HOH202
|
3.7
|
79.1
|
1.0
|
N1
|
E:G5
|
3.9
|
74.1
|
1.0
|
N1
|
F:G5
|
3.9
|
84.9
|
1.0
|
O
|
F:HOH102
|
3.9
|
55.8
|
1.0
|
C4
|
E:U4
|
4.1
|
70.0
|
1.0
|
O6
|
F:G6
|
4.4
|
84.3
|
1.0
|
N3
|
E:U4
|
4.5
|
72.9
|
1.0
|
O6
|
E:G6
|
4.7
|
62.8
|
1.0
|
O
|
E:HOH201
|
4.7
|
85.5
|
1.0
|
C4
|
F:U4
|
4.7
|
74.2
|
1.0
|
C5
|
F:G5
|
4.8
|
85.0
|
1.0
|
C5
|
E:G5
|
4.9
|
76.4
|
1.0
|
|
Strontium binding site 5 out
of 22 in 8amn
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Strontium Binding Sites List in 8amn
Strontium binding site 5 out
of 22 in the Crystal Structure of Auguggcau Duplex with Strontium Ions
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 5 of Crystal Structure of Auguggcau Duplex with Strontium Ions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Sr101
b:153.1
occ:1.00
|
O6
|
H:G5
|
2.5
|
65.9
|
1.0
|
O4
|
G:U4
|
2.9
|
70.8
|
1.0
|
O4
|
H:U4
|
3.0
|
58.7
|
1.0
|
O6
|
G:G5
|
3.1
|
64.4
|
1.0
|
SR
|
H:SR101
|
3.5
|
92.2
|
0.3
|
C6
|
H:G5
|
3.5
|
64.8
|
1.0
|
O
|
H:HOH201
|
3.6
|
31.7
|
1.0
|
O6
|
G:G6
|
3.9
|
54.3
|
1.0
|
C4
|
G:U4
|
4.0
|
73.3
|
1.0
|
C6
|
G:G5
|
4.0
|
66.3
|
1.0
|
N1
|
H:G5
|
4.0
|
62.1
|
1.0
|
C4
|
H:U4
|
4.1
|
58.3
|
1.0
|
N1
|
G:G5
|
4.3
|
66.7
|
1.0
|
N3
|
H:U4
|
4.4
|
56.6
|
1.0
|
N3
|
G:U4
|
4.7
|
76.2
|
1.0
|
C5
|
H:G5
|
4.8
|
65.4
|
1.0
|
C6
|
G:G6
|
4.8
|
54.1
|
1.0
|
O6
|
H:G3
|
4.9
|
62.7
|
1.0
|
O6
|
H:G6
|
5.0
|
71.4
|
1.0
|
|
Strontium binding site 6 out
of 22 in 8amn
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Strontium Binding Sites List in 8amn
Strontium binding site 6 out
of 22 in the Crystal Structure of Auguggcau Duplex with Strontium Ions
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 6 of Crystal Structure of Auguggcau Duplex with Strontium Ions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Sr101
b:92.2
occ:0.30
|
O6
|
G:G3
|
2.7
|
96.8
|
1.0
|
O6
|
H:G6
|
2.9
|
71.4
|
1.0
|
O6
|
H:G5
|
2.9
|
65.9
|
1.0
|
O4
|
G:U4
|
3.1
|
70.8
|
1.0
|
N4
|
H:C7
|
3.5
|
86.3
|
1.0
|
SR
|
G:SR101
|
3.5
|
153.1
|
1.0
|
C6
|
H:G5
|
3.6
|
64.8
|
1.0
|
C6
|
G:G3
|
3.8
|
98.4
|
1.0
|
C4
|
G:U4
|
3.9
|
73.3
|
1.0
|
N3
|
G:U4
|
4.0
|
76.2
|
1.0
|
C6
|
H:G6
|
4.0
|
69.5
|
1.0
|
N1
|
H:G5
|
4.1
|
62.1
|
1.0
|
O4
|
G:U2
|
4.2
|
115.0
|
1.0
|
O6
|
G:G5
|
4.3
|
64.4
|
1.0
|
N7
|
H:G6
|
4.3
|
73.5
|
1.0
|
C5
|
H:G5
|
4.5
|
65.4
|
1.0
|
C5
|
H:G6
|
4.6
|
70.2
|
1.0
|
C4
|
H:C7
|
4.6
|
84.7
|
1.0
|
C5
|
G:G3
|
4.7
|
98.0
|
1.0
|
N1
|
G:G3
|
4.8
|
100.5
|
1.0
|
N7
|
G:G3
|
4.9
|
96.0
|
1.0
|
N7
|
H:G5
|
5.0
|
66.5
|
1.0
|
|
Strontium binding site 7 out
of 22 in 8amn
Go back to
Strontium Binding Sites List in 8amn
Strontium binding site 7 out
of 22 in the Crystal Structure of Auguggcau Duplex with Strontium Ions
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 7 of Crystal Structure of Auguggcau Duplex with Strontium Ions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Sr101
b:131.1
occ:1.00
|
O6
|
J:G5
|
2.5
|
89.2
|
1.0
|
O6
|
I:G5
|
2.8
|
72.3
|
1.0
|
O4
|
I:U4
|
3.0
|
67.5
|
1.0
|
C6
|
J:G5
|
3.6
|
88.3
|
1.0
|
C6
|
I:G5
|
3.7
|
73.1
|
1.0
|
N1
|
I:G5
|
3.7
|
73.8
|
1.0
|
O4
|
J:U4
|
3.7
|
91.0
|
1.0
|
C4
|
I:U4
|
4.1
|
67.8
|
1.0
|
N1
|
J:G5
|
4.2
|
87.5
|
1.0
|
O6
|
I:G6
|
4.3
|
75.0
|
1.0
|
O6
|
J:G6
|
4.4
|
82.8
|
1.0
|
C4
|
J:U4
|
4.7
|
90.1
|
1.0
|
N3
|
I:U4
|
4.7
|
68.3
|
1.0
|
C5
|
J:G5
|
4.8
|
88.0
|
1.0
|
|
Strontium binding site 8 out
of 22 in 8amn
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Strontium Binding Sites List in 8amn
Strontium binding site 8 out
of 22 in the Crystal Structure of Auguggcau Duplex with Strontium Ions
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 8 of Crystal Structure of Auguggcau Duplex with Strontium Ions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Sr101
b:140.3
occ:1.00
|
O6
|
K:G5
|
2.5
|
78.5
|
1.0
|
O6
|
L:G5
|
2.5
|
72.9
|
1.0
|
O4
|
K:U4
|
2.8
|
71.4
|
1.0
|
O4
|
L:U4
|
2.8
|
58.0
|
1.0
|
C6
|
L:G5
|
3.4
|
73.8
|
1.0
|
C6
|
K:G5
|
3.6
|
78.3
|
1.0
|
N1
|
L:G5
|
3.6
|
72.8
|
1.0
|
O
|
K:HOH101
|
3.7
|
76.0
|
1.0
|
C4
|
L:U4
|
3.8
|
59.2
|
1.0
|
C4
|
K:U4
|
3.9
|
73.3
|
1.0
|
O6
|
L:G6
|
4.1
|
66.8
|
1.0
|
N1
|
K:G5
|
4.1
|
74.8
|
1.0
|
N3
|
L:U4
|
4.3
|
61.3
|
1.0
|
N3
|
K:U4
|
4.4
|
72.1
|
1.0
|
O6
|
K:G6
|
4.5
|
62.9
|
1.0
|
C5
|
K:G5
|
4.8
|
80.6
|
1.0
|
C5
|
L:G5
|
4.8
|
75.7
|
1.0
|
C5
|
L:U4
|
4.9
|
58.6
|
1.0
|
O6
|
K:G3
|
4.9
|
68.7
|
1.0
|
C2
|
L:G5
|
4.9
|
73.6
|
1.0
|
|
Strontium binding site 9 out
of 22 in 8amn
Go back to
Strontium Binding Sites List in 8amn
Strontium binding site 9 out
of 22 in the Crystal Structure of Auguggcau Duplex with Strontium Ions
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 9 of Crystal Structure of Auguggcau Duplex with Strontium Ions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Sr101
b:152.4
occ:1.00
|
O6
|
N:G5
|
2.7
|
72.2
|
1.0
|
O6
|
M:G5
|
2.8
|
78.5
|
1.0
|
O4
|
N:U4
|
2.8
|
73.0
|
1.0
|
O4
|
M:U4
|
3.0
|
66.1
|
1.0
|
O
|
M:HOH201
|
3.3
|
76.4
|
1.0
|
C6
|
N:G5
|
3.7
|
72.4
|
1.0
|
C6
|
M:G5
|
3.8
|
82.4
|
1.0
|
C4
|
N:U4
|
3.9
|
75.6
|
1.0
|
C4
|
M:U4
|
4.0
|
69.2
|
1.0
|
O6
|
M:G6
|
4.0
|
63.7
|
1.0
|
SR
|
M:SR102
|
4.0
|
125.5
|
0.5
|
N1
|
M:G5
|
4.1
|
85.4
|
1.0
|
N1
|
N:G5
|
4.3
|
70.0
|
1.0
|
N3
|
N:U4
|
4.4
|
75.3
|
1.0
|
N3
|
M:U4
|
4.7
|
67.9
|
1.0
|
C5
|
N:G5
|
4.8
|
75.6
|
1.0
|
C5
|
M:U4
|
4.9
|
73.4
|
1.0
|
O6
|
N:G3
|
5.0
|
87.9
|
1.0
|
|
Strontium binding site 10 out
of 22 in 8amn
Go back to
Strontium Binding Sites List in 8amn
Strontium binding site 10 out
of 22 in the Crystal Structure of Auguggcau Duplex with Strontium Ions
Mono view
Stereo pair view
|
A full contact list of Strontium with other atoms in the Sr binding
site number 10 of Crystal Structure of Auguggcau Duplex with Strontium Ions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Sr102
b:125.5
occ:0.50
|
O6
|
M:G3
|
2.8
|
59.1
|
1.0
|
O4
|
M:U4
|
3.1
|
66.1
|
1.0
|
O6
|
N:G5
|
3.2
|
72.2
|
1.0
|
O6
|
N:G6
|
3.2
|
72.5
|
1.0
|
C6
|
M:G3
|
3.9
|
61.4
|
1.0
|
N4
|
N:C7
|
4.0
|
68.2
|
1.0
|
C6
|
N:G5
|
4.0
|
72.4
|
1.0
|
C4
|
M:U4
|
4.0
|
69.2
|
1.0
|
SR
|
M:SR101
|
4.0
|
152.4
|
1.0
|
N3
|
M:U4
|
4.2
|
67.9
|
1.0
|
C6
|
N:G6
|
4.3
|
72.1
|
1.0
|
O4
|
M:U2
|
4.6
|
54.9
|
1.0
|
N7
|
N:G6
|
4.7
|
76.5
|
1.0
|
N1
|
N:G5
|
4.7
|
70.0
|
1.0
|
C5
|
N:G5
|
4.7
|
75.6
|
1.0
|
O6
|
M:G5
|
4.7
|
78.5
|
1.0
|
N1
|
M:G3
|
4.8
|
60.1
|
1.0
|
C5
|
N:G6
|
4.9
|
73.6
|
1.0
|
C5
|
M:G3
|
4.9
|
65.5
|
1.0
|
N7
|
N:G5
|
4.9
|
79.5
|
1.0
|
C4
|
N:C7
|
5.0
|
67.6
|
1.0
|
|
Reference:
A.Kiliszek,
M.Pluta,
M.Bejger,
W.Rypniewski.
Structure and Thermodynamics of A Ugg Motif Interacting with BA2+ and Other Metal Ions: Accommodating Changes in the Rna Structure and the Presence of A G(Syn)-G(Syn) Pair. Rna 2022.
ISSN: ESSN 1469-9001
PubMed: 36319090
DOI: 10.1261/RNA.079414.122
Page generated: Fri Oct 11 07:25:13 2024
|