Cobalt in PDB 2eeu: Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine
Protein crystallography data
The structure of Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine, PDB code: 2eeu
was solved by
S.D.Gilbert,
C.E.Love,
R.T.Batey,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
18.91 /
1.95
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
132.990,
35.240,
42.130,
90.00,
90.42,
90.00
|
R / Rfree (%)
|
23.2 /
27.5
|
Cobalt Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Cobalt atom in the Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine
(pdb code 2eeu). This binding sites where shown within
5.0 Angstroms radius around Cobalt atom.
In total 12 binding sites of Cobalt where determined in the
Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine, PDB code: 2eeu:
Jump to Cobalt binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Cobalt binding site 1 out
of 12 in 2eeu
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Cobalt Binding Sites List in 2eeu
Cobalt binding site 1 out
of 12 in the Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co101
b:24.8
occ:1.00
|
CO
|
A:NCO101
|
0.0
|
24.8
|
1.0
|
N2
|
A:NCO101
|
2.0
|
20.0
|
1.0
|
N1
|
A:NCO101
|
2.0
|
20.0
|
1.0
|
N4
|
A:NCO101
|
2.0
|
23.8
|
1.0
|
N3
|
A:NCO101
|
2.0
|
22.0
|
1.0
|
N5
|
A:NCO101
|
2.0
|
21.4
|
1.0
|
N6
|
A:NCO101
|
2.0
|
22.0
|
1.0
|
O
|
A:HOH236
|
3.7
|
52.9
|
1.0
|
O
|
A:HOH307
|
3.7
|
41.5
|
1.0
|
OP1
|
A:U67
|
4.1
|
18.2
|
1.0
|
O
|
A:HOH269
|
4.1
|
33.8
|
1.0
|
O
|
A:HOH311
|
4.2
|
45.2
|
1.0
|
O3'
|
A:A66
|
4.2
|
20.7
|
1.0
|
OP1
|
A:C28
|
4.5
|
34.2
|
1.0
|
OP2
|
A:C28
|
4.5
|
38.9
|
1.0
|
OP2
|
A:G68
|
4.8
|
46.0
|
1.0
|
P
|
A:U67
|
4.9
|
19.3
|
1.0
|
P
|
A:C28
|
5.0
|
37.8
|
1.0
|
OP1
|
A:G27
|
5.0
|
48.9
|
1.0
|
|
Cobalt binding site 2 out
of 12 in 2eeu
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Cobalt Binding Sites List in 2eeu
Cobalt binding site 2 out
of 12 in the Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co102
b:33.7
occ:1.00
|
CO
|
A:NCO102
|
0.0
|
33.7
|
1.0
|
N2
|
A:NCO102
|
2.0
|
33.9
|
1.0
|
N3
|
A:NCO102
|
2.0
|
33.6
|
1.0
|
N4
|
A:NCO102
|
2.0
|
32.7
|
1.0
|
N6
|
A:NCO102
|
2.0
|
33.0
|
1.0
|
N5
|
A:NCO102
|
2.0
|
34.1
|
1.0
|
N1
|
A:NCO102
|
2.0
|
31.4
|
1.0
|
O
|
A:HOH274
|
3.8
|
26.0
|
1.0
|
O
|
A:HOH242
|
3.8
|
27.4
|
1.0
|
OP1
|
A:G38
|
3.9
|
17.2
|
1.0
|
O
|
A:HOH138
|
3.9
|
25.5
|
1.0
|
OP1
|
A:G56
|
4.0
|
27.7
|
1.0
|
O
|
A:HOH204
|
4.1
|
23.1
|
1.0
|
OP2
|
A:G56
|
4.8
|
27.8
|
1.0
|
P
|
A:G56
|
5.0
|
28.9
|
1.0
|
C5'
|
A:C39
|
5.0
|
24.9
|
1.0
|
|
Cobalt binding site 3 out
of 12 in 2eeu
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Cobalt Binding Sites List in 2eeu
Cobalt binding site 3 out
of 12 in the Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co103
b:26.5
occ:1.00
|
CO
|
A:NCO103
|
0.0
|
26.5
|
1.0
|
N1
|
A:NCO103
|
2.0
|
21.1
|
1.0
|
N6
|
A:NCO103
|
2.0
|
23.8
|
1.0
|
N3
|
A:NCO103
|
2.0
|
23.5
|
1.0
|
N2
|
A:NCO103
|
2.0
|
23.2
|
1.0
|
N4
|
A:NCO103
|
2.0
|
23.6
|
1.0
|
N5
|
A:NCO103
|
2.0
|
24.3
|
1.0
|
O
|
A:HOH271
|
3.7
|
27.4
|
1.0
|
O
|
A:HOH148
|
3.8
|
32.5
|
1.0
|
O6
|
A:G56
|
4.0
|
19.1
|
1.0
|
O4
|
A:U69
|
4.1
|
21.2
|
1.0
|
O
|
A:HOH166
|
4.1
|
22.1
|
1.0
|
OP2
|
A:C39
|
4.2
|
22.5
|
1.0
|
O
|
A:HOH253
|
4.2
|
33.8
|
1.0
|
O
|
A:HOH154
|
4.2
|
28.3
|
1.0
|
O
|
A:HOH128
|
4.2
|
17.4
|
1.0
|
N7
|
A:G56
|
4.5
|
21.8
|
1.0
|
OP1
|
A:C39
|
4.6
|
21.7
|
1.0
|
C6
|
A:G56
|
4.9
|
21.0
|
1.0
|
O6
|
A:G68
|
4.9
|
17.1
|
1.0
|
P
|
A:C39
|
4.9
|
23.0
|
1.0
|
|
Cobalt binding site 4 out
of 12 in 2eeu
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Cobalt Binding Sites List in 2eeu
Cobalt binding site 4 out
of 12 in the Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 4 of Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co104
b:24.2
occ:1.00
|
CO
|
A:NCO104
|
0.0
|
24.2
|
1.0
|
N2
|
A:NCO104
|
2.0
|
21.3
|
1.0
|
N6
|
A:NCO104
|
2.0
|
19.5
|
1.0
|
N3
|
A:NCO104
|
2.0
|
20.8
|
1.0
|
N5
|
A:NCO104
|
2.0
|
20.0
|
1.0
|
N1
|
A:NCO104
|
2.0
|
20.7
|
1.0
|
N4
|
A:NCO104
|
2.0
|
19.0
|
1.0
|
O
|
A:HOH146
|
3.8
|
21.2
|
1.0
|
O6
|
A:G32
|
3.9
|
21.2
|
1.0
|
O
|
A:HOH115
|
3.9
|
12.6
|
1.0
|
OP2
|
A:A66
|
4.0
|
29.1
|
1.0
|
O
|
A:HOH216
|
4.1
|
28.4
|
1.0
|
O
|
A:HOH147
|
4.1
|
14.9
|
1.0
|
O6
|
A:G31
|
4.2
|
13.2
|
1.0
|
O
|
A:HOH149
|
4.3
|
30.6
|
1.0
|
O
|
A:HOH117
|
4.3
|
16.8
|
1.0
|
O
|
A:HOH161
|
4.4
|
29.2
|
1.0
|
N7
|
A:G31
|
4.4
|
18.9
|
1.0
|
O
|
A:HOH133
|
4.7
|
20.0
|
1.0
|
O5'
|
A:A66
|
4.9
|
32.9
|
1.0
|
C6
|
A:G32
|
4.9
|
20.0
|
1.0
|
O2'
|
A:A65
|
5.0
|
28.3
|
1.0
|
C6
|
A:G31
|
5.0
|
18.7
|
1.0
|
|
Cobalt binding site 5 out
of 12 in 2eeu
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Cobalt Binding Sites List in 2eeu
Cobalt binding site 5 out
of 12 in the Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 5 of Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co105
b:36.5
occ:1.00
|
CO
|
A:NCO105
|
0.0
|
36.5
|
1.0
|
N5
|
A:NCO105
|
2.0
|
34.1
|
1.0
|
N6
|
A:NCO105
|
2.0
|
35.1
|
1.0
|
N4
|
A:NCO105
|
2.0
|
35.2
|
1.0
|
N1
|
A:NCO105
|
2.0
|
35.6
|
1.0
|
N2
|
A:NCO105
|
2.0
|
33.9
|
1.0
|
N3
|
A:NCO105
|
2.0
|
34.1
|
1.0
|
O
|
A:HOH220
|
3.9
|
37.8
|
1.0
|
O
|
A:HOH260
|
3.9
|
29.6
|
1.0
|
O
|
A:HOH209
|
3.9
|
51.4
|
1.0
|
O6
|
A:G38
|
4.1
|
21.0
|
1.0
|
OP2
|
A:G37
|
4.1
|
17.7
|
1.0
|
O
|
A:HOH201
|
4.2
|
25.1
|
1.0
|
N7
|
A:G38
|
4.3
|
20.0
|
1.0
|
O
|
A:HOH270
|
4.3
|
31.2
|
1.0
|
N7
|
A:G37
|
4.4
|
19.8
|
1.0
|
O
|
A:HOH312
|
4.4
|
34.2
|
1.0
|
O
|
A:HOH212
|
4.7
|
31.5
|
1.0
|
C6
|
A:G38
|
4.9
|
20.9
|
1.0
|
O
|
A:HOH256
|
5.0
|
55.8
|
1.0
|
C5
|
A:G38
|
5.0
|
18.8
|
1.0
|
C8
|
A:G37
|
5.0
|
20.2
|
1.0
|
|
Cobalt binding site 6 out
of 12 in 2eeu
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Cobalt Binding Sites List in 2eeu
Cobalt binding site 6 out
of 12 in the Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 6 of Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co106
b:0.7
occ:1.00
|
CO
|
A:NCO106
|
0.0
|
0.7
|
1.0
|
N5
|
A:NCO106
|
2.0
|
0.6
|
1.0
|
N2
|
A:NCO106
|
2.0
|
0.3
|
1.0
|
N6
|
A:NCO106
|
2.0
|
0.5
|
1.0
|
N3
|
A:NCO106
|
2.0
|
0.3
|
1.0
|
N1
|
A:NCO106
|
2.0
|
0.5
|
1.0
|
N4
|
A:NCO106
|
2.0
|
0.4
|
1.0
|
O
|
A:HOH319
|
3.8
|
35.6
|
1.0
|
O
|
A:HOH210
|
3.8
|
29.9
|
1.0
|
OP1
|
A:C26
|
3.9
|
42.1
|
1.0
|
O
|
A:HOH131
|
4.3
|
29.8
|
1.0
|
O
|
A:HOH307
|
4.8
|
41.5
|
1.0
|
|
Cobalt binding site 7 out
of 12 in 2eeu
Go back to
Cobalt Binding Sites List in 2eeu
Cobalt binding site 7 out
of 12 in the Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 7 of Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co107
b:94.9
occ:1.00
|
CO
|
A:NCO107
|
0.0
|
94.9
|
1.0
|
N1
|
A:NCO107
|
2.0
|
94.2
|
1.0
|
N6
|
A:NCO107
|
2.0
|
94.1
|
1.0
|
N4
|
A:NCO107
|
2.0
|
93.8
|
1.0
|
N3
|
A:NCO107
|
2.0
|
94.3
|
1.0
|
N5
|
A:NCO107
|
2.0
|
94.1
|
1.0
|
N2
|
A:NCO107
|
2.0
|
94.2
|
1.0
|
OP2
|
A:C41
|
3.7
|
19.8
|
1.0
|
OP1
|
A:C54
|
4.0
|
35.3
|
1.0
|
O
|
A:HOH139
|
4.5
|
21.1
|
1.0
|
OP1
|
A:C53
|
4.7
|
33.7
|
1.0
|
P
|
A:C41
|
4.7
|
20.1
|
1.0
|
OP2
|
A:C53
|
4.7
|
30.7
|
1.0
|
OP1
|
A:C41
|
4.9
|
21.3
|
1.0
|
OP2
|
A:G42
|
5.0
|
23.6
|
1.0
|
O
|
A:HOH218
|
5.0
|
35.9
|
1.0
|
|
Cobalt binding site 8 out
of 12 in 2eeu
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Cobalt Binding Sites List in 2eeu
Cobalt binding site 8 out
of 12 in the Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 8 of Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co108
b:73.0
occ:1.00
|
CO
|
A:NCO108
|
0.0
|
73.0
|
1.0
|
N2
|
A:NCO108
|
2.0
|
73.1
|
1.0
|
N6
|
A:NCO108
|
2.0
|
73.2
|
1.0
|
N1
|
A:NCO108
|
2.0
|
72.9
|
1.0
|
N4
|
A:NCO108
|
2.0
|
73.1
|
1.0
|
N5
|
A:NCO108
|
2.0
|
73.5
|
1.0
|
N3
|
A:NCO108
|
2.0
|
73.3
|
1.0
|
O
|
A:HOH276
|
3.9
|
50.1
|
1.0
|
N7
|
A:G46
|
4.2
|
30.7
|
1.0
|
O
|
A:HOH280
|
4.2
|
58.1
|
1.0
|
O6
|
A:G46
|
4.2
|
28.5
|
1.0
|
OP2
|
A:A45
|
4.3
|
42.6
|
1.0
|
O4
|
A:U47
|
4.5
|
35.1
|
1.0
|
C6
|
A:G46
|
5.0
|
31.1
|
1.0
|
C5
|
A:G46
|
5.0
|
29.5
|
1.0
|
|
Cobalt binding site 9 out
of 12 in 2eeu
Go back to
Cobalt Binding Sites List in 2eeu
Cobalt binding site 9 out
of 12 in the Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 9 of Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co109
b:60.6
occ:1.00
|
CO
|
A:NCO109
|
0.0
|
60.6
|
1.0
|
N3
|
A:NCO109
|
2.0
|
60.5
|
1.0
|
N1
|
A:NCO109
|
2.0
|
60.5
|
1.0
|
N6
|
A:NCO109
|
2.0
|
61.1
|
1.0
|
N5
|
A:NCO109
|
2.0
|
61.2
|
1.0
|
N2
|
A:NCO109
|
2.0
|
60.8
|
1.0
|
N4
|
A:NCO109
|
2.0
|
60.4
|
1.0
|
O
|
A:HOH145
|
3.6
|
75.5
|
1.0
|
O
|
A:HOH262
|
3.7
|
29.5
|
1.0
|
O
|
A:HOH304
|
4.0
|
48.9
|
1.0
|
OP1
|
A:A24
|
4.0
|
32.6
|
1.0
|
OP2
|
A:C71
|
4.2
|
22.0
|
1.0
|
O
|
A:HOH281
|
4.6
|
46.0
|
1.0
|
|
Cobalt binding site 10 out
of 12 in 2eeu
Go back to
Cobalt Binding Sites List in 2eeu
Cobalt binding site 10 out
of 12 in the Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 10 of Guanine Riboswitch U22A, A52U Mutant Bound to Hypoxanthine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co110
b:0.3
occ:1.00
|
CO
|
A:NCO110
|
0.0
|
0.3
|
1.0
|
N4
|
A:NCO110
|
2.0
|
0.4
|
1.0
|
N1
|
A:NCO110
|
2.0
|
0.5
|
1.0
|
N2
|
A:NCO110
|
2.0
|
0.5
|
1.0
|
N5
|
A:NCO110
|
2.0
|
0.5
|
1.0
|
N6
|
A:NCO110
|
2.0
|
0.5
|
1.0
|
N3
|
A:NCO110
|
2.0
|
0.5
|
1.0
|
OP1
|
A:A21
|
3.7
|
27.0
|
1.0
|
O
|
A:HOH315
|
4.0
|
50.7
|
1.0
|
OP2
|
A:A22
|
4.7
|
29.8
|
1.0
|
P
|
A:A21
|
4.8
|
28.0
|
1.0
|
OP2
|
A:A21
|
4.9
|
25.2
|
1.0
|
|
Reference:
S.D.Gilbert,
C.E.Love,
A.L.Edwards,
R.T.Batey.
Mutational Analysis of the Purine Riboswitch Aptamer Domain Biochemistry V. 46 13297 2007.
ISSN: ISSN 0006-2960
PubMed: 17960911
DOI: 10.1021/BI700410G
Page generated: Tue Jul 30 15:05:00 2024
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