Cobalt in PDB 3fo6: Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine
Protein crystallography data
The structure of Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine, PDB code: 3fo6
was solved by
S.D.Gilbert,
F.E.Reyes,
R.T.Batey,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.70 /
1.90
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
133.180,
35.270,
42.120,
90.00,
90.45,
90.00
|
R / Rfree (%)
|
23.1 /
26.3
|
Cobalt Binding Sites:
The binding sites of Cobalt atom in the Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine
(pdb code 3fo6). This binding sites where shown within
5.0 Angstroms radius around Cobalt atom.
In total 9 binding sites of Cobalt where determined in the
Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine, PDB code: 3fo6:
Jump to Cobalt binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Cobalt binding site 1 out
of 9 in 3fo6
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Cobalt Binding Sites List in 3fo6
Cobalt binding site 1 out
of 9 in the Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine
 Mono view
 Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co101
b:26.5
occ:1.00
|
CO
|
A:NCO101
|
0.0
|
26.5
|
1.0
|
N1
|
A:NCO101
|
2.0
|
24.1
|
1.0
|
N2
|
A:NCO101
|
2.0
|
25.9
|
1.0
|
N4
|
A:NCO101
|
2.0
|
27.6
|
1.0
|
N6
|
A:NCO101
|
2.0
|
26.3
|
1.0
|
N5
|
A:NCO101
|
2.0
|
24.4
|
1.0
|
N3
|
A:NCO101
|
2.0
|
26.2
|
1.0
|
O
|
A:HOH386
|
3.6
|
36.9
|
1.0
|
O
|
A:HOH359
|
4.0
|
28.5
|
1.0
|
OP1
|
A:U67
|
4.1
|
18.4
|
1.0
|
O
|
A:HOH460
|
4.2
|
72.1
|
1.0
|
O
|
A:HOH518
|
4.3
|
37.4
|
1.0
|
O
|
A:HOH497
|
4.3
|
78.9
|
1.0
|
O3'
|
A:A66
|
4.4
|
17.6
|
1.0
|
P
|
A:U67
|
4.9
|
17.5
|
1.0
|
|
Cobalt binding site 2 out
of 9 in 3fo6
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Cobalt Binding Sites List in 3fo6
Cobalt binding site 2 out
of 9 in the Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine
 Mono view
 Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co102
b:35.7
occ:1.00
|
CO
|
A:NCO102
|
0.0
|
35.7
|
1.0
|
N4
|
A:NCO102
|
2.0
|
32.9
|
1.0
|
N2
|
A:NCO102
|
2.0
|
33.6
|
1.0
|
N3
|
A:NCO102
|
2.0
|
31.6
|
1.0
|
N6
|
A:NCO102
|
2.0
|
32.9
|
1.0
|
N1
|
A:NCO102
|
2.0
|
32.7
|
1.0
|
N5
|
A:NCO102
|
2.0
|
33.0
|
1.0
|
O
|
A:HOH470
|
3.6
|
43.8
|
1.0
|
OP1
|
A:G56
|
3.8
|
32.6
|
1.0
|
O
|
A:HOH347
|
3.8
|
29.5
|
1.0
|
O
|
A:HOH452
|
3.9
|
39.4
|
1.0
|
OP1
|
A:G38
|
4.0
|
18.9
|
1.0
|
O
|
A:HOH381
|
4.2
|
27.8
|
1.0
|
O
|
A:HOH416
|
4.6
|
42.1
|
1.0
|
P
|
A:G56
|
4.9
|
31.0
|
1.0
|
|
Cobalt binding site 3 out
of 9 in 3fo6
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Cobalt Binding Sites List in 3fo6
Cobalt binding site 3 out
of 9 in the Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine
 Mono view
 Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co103
b:33.1
occ:1.00
|
CO
|
A:NCO103
|
0.0
|
33.1
|
1.0
|
N3
|
A:NCO103
|
2.0
|
30.2
|
1.0
|
N4
|
A:NCO103
|
2.0
|
33.2
|
1.0
|
N2
|
A:NCO103
|
2.0
|
33.8
|
1.0
|
N1
|
A:NCO103
|
2.0
|
32.2
|
1.0
|
N6
|
A:NCO103
|
2.0
|
33.9
|
1.0
|
N5
|
A:NCO103
|
2.0
|
32.4
|
1.0
|
O
|
A:HOH457
|
3.5
|
38.2
|
1.0
|
O
|
A:HOH442
|
3.9
|
40.2
|
1.0
|
O
|
A:HOH315
|
4.0
|
23.1
|
1.0
|
O4
|
A:U69
|
4.0
|
21.3
|
1.0
|
O
|
A:HOH462
|
4.0
|
45.3
|
1.0
|
O6
|
A:G56
|
4.0
|
28.6
|
1.0
|
O
|
A:HOH401
|
4.2
|
25.5
|
1.0
|
OP2
|
A:C39
|
4.4
|
27.4
|
1.0
|
N7
|
A:G56
|
4.5
|
26.1
|
1.0
|
O
|
A:HOH443
|
4.6
|
33.1
|
1.0
|
O6
|
A:G68
|
4.8
|
18.7
|
1.0
|
C6
|
A:G56
|
4.9
|
27.0
|
1.0
|
O
|
A:HOH519
|
4.9
|
78.9
|
1.0
|
OP1
|
A:C39
|
4.9
|
26.7
|
1.0
|
|
Cobalt binding site 4 out
of 9 in 3fo6
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Cobalt Binding Sites List in 3fo6
Cobalt binding site 4 out
of 9 in the Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine
 Mono view
 Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 4 of Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co104
b:26.3
occ:1.00
|
CO
|
A:NCO104
|
0.0
|
26.3
|
1.0
|
N2
|
A:NCO104
|
2.0
|
23.1
|
1.0
|
N5
|
A:NCO104
|
2.0
|
22.9
|
1.0
|
N6
|
A:NCO104
|
2.0
|
23.7
|
1.0
|
N1
|
A:NCO104
|
2.0
|
24.2
|
1.0
|
N3
|
A:NCO104
|
2.0
|
22.9
|
1.0
|
N4
|
A:NCO104
|
2.0
|
20.7
|
1.0
|
OP2
|
A:A66
|
3.9
|
28.1
|
1.0
|
O
|
A:HOH303
|
3.9
|
19.1
|
1.0
|
O6
|
A:G32
|
4.0
|
20.5
|
1.0
|
O
|
A:HOH345
|
4.0
|
23.6
|
1.0
|
O6
|
A:G31
|
4.0
|
19.7
|
1.0
|
O
|
A:HOH307
|
4.2
|
18.6
|
1.0
|
O
|
A:HOH349
|
4.2
|
30.0
|
1.0
|
O
|
A:HOH310
|
4.3
|
19.0
|
1.0
|
O
|
A:HOH333
|
4.3
|
26.1
|
1.0
|
O
|
A:HOH380
|
4.3
|
23.7
|
1.0
|
N7
|
A:G31
|
4.4
|
18.3
|
1.0
|
C6
|
A:G31
|
4.8
|
20.1
|
1.0
|
O
|
A:HOH304
|
4.9
|
20.4
|
1.0
|
C6
|
A:G32
|
5.0
|
20.4
|
1.0
|
C5
|
A:G31
|
5.0
|
18.5
|
1.0
|
|
Cobalt binding site 5 out
of 9 in 3fo6
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Cobalt Binding Sites List in 3fo6
Cobalt binding site 5 out
of 9 in the Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine
 Mono view
 Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 5 of Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co105
b:57.3
occ:1.00
|
CO
|
A:NCO105
|
0.0
|
57.3
|
1.0
|
N1
|
A:NCO105
|
2.0
|
56.1
|
1.0
|
N2
|
A:NCO105
|
2.0
|
55.7
|
1.0
|
N4
|
A:NCO105
|
2.0
|
56.9
|
1.0
|
N5
|
A:NCO105
|
2.0
|
56.5
|
1.0
|
N6
|
A:NCO105
|
2.0
|
56.0
|
1.0
|
N3
|
A:NCO105
|
2.0
|
57.3
|
1.0
|
O
|
A:HOH495
|
3.4
|
66.4
|
1.0
|
O
|
A:HOH499
|
3.5
|
78.9
|
1.0
|
O
|
A:HOH360
|
3.6
|
35.5
|
1.0
|
O
|
A:HOH512
|
3.6
|
67.3
|
1.0
|
O
|
A:HOH342
|
4.1
|
27.6
|
1.0
|
OP2
|
A:G37
|
4.2
|
21.7
|
1.0
|
O
|
A:HOH371
|
4.2
|
31.0
|
1.0
|
O
|
A:HOH399
|
4.3
|
43.9
|
1.0
|
O6
|
A:G38
|
4.3
|
20.8
|
1.0
|
N7
|
A:G38
|
4.5
|
21.1
|
1.0
|
O
|
A:HOH356
|
4.6
|
47.1
|
1.0
|
O
|
A:HOH424
|
4.7
|
21.4
|
1.0
|
N7
|
A:G37
|
4.7
|
21.5
|
1.0
|
O
|
A:HOH436
|
4.8
|
30.8
|
1.0
|
|
Cobalt binding site 6 out
of 9 in 3fo6
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Cobalt Binding Sites List in 3fo6
Cobalt binding site 6 out
of 9 in the Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine
 Mono view
 Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 6 of Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co107
b:69.6
occ:1.00
|
CO
|
A:NCO107
|
0.0
|
69.6
|
1.0
|
N6
|
A:NCO107
|
2.0
|
69.1
|
1.0
|
N4
|
A:NCO107
|
2.0
|
69.0
|
1.0
|
N3
|
A:NCO107
|
2.0
|
69.8
|
1.0
|
N1
|
A:NCO107
|
2.0
|
69.8
|
1.0
|
N2
|
A:NCO107
|
2.0
|
69.2
|
1.0
|
N5
|
A:NCO107
|
2.0
|
69.5
|
1.0
|
OP1
|
A:C54
|
3.9
|
35.8
|
1.0
|
O
|
A:HOH340
|
4.1
|
33.1
|
1.0
|
OP2
|
A:C41
|
4.2
|
21.2
|
1.0
|
O
|
A:HOH312
|
4.2
|
32.0
|
1.0
|
O
|
A:HOH314
|
4.5
|
17.8
|
1.0
|
O
|
A:HOH362
|
4.5
|
28.5
|
1.0
|
OP1
|
A:C53
|
4.8
|
35.1
|
1.0
|
OP2
|
A:G42
|
4.9
|
21.4
|
1.0
|
|
Cobalt binding site 7 out
of 9 in 3fo6
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Cobalt Binding Sites List in 3fo6
Cobalt binding site 7 out
of 9 in the Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine
 Mono view
 Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 7 of Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co108
b:61.8
occ:1.00
|
CO
|
A:NCO108
|
0.0
|
61.8
|
1.0
|
N5
|
A:NCO108
|
2.0
|
61.5
|
1.0
|
N4
|
A:NCO108
|
2.0
|
60.9
|
1.0
|
N2
|
A:NCO108
|
2.0
|
61.6
|
1.0
|
N3
|
A:NCO108
|
2.0
|
61.8
|
1.0
|
N1
|
A:NCO108
|
2.0
|
61.5
|
1.0
|
N6
|
A:NCO108
|
2.0
|
61.4
|
1.0
|
O
|
A:HOH420
|
3.8
|
41.5
|
1.0
|
O4
|
A:U47
|
4.0
|
39.2
|
1.0
|
O6
|
A:G46
|
4.2
|
31.9
|
1.0
|
N7
|
A:G46
|
4.6
|
32.1
|
1.0
|
C4
|
A:U47
|
5.0
|
37.5
|
1.0
|
O
|
A:HOH379
|
5.0
|
39.2
|
1.0
|
|
Cobalt binding site 8 out
of 9 in 3fo6
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Cobalt Binding Sites List in 3fo6
Cobalt binding site 8 out
of 9 in the Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine
 Mono view
 Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 8 of Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co109
b:88.9
occ:1.00
|
CO
|
A:NCO109
|
0.0
|
88.9
|
1.0
|
N3
|
A:NCO109
|
2.0
|
88.2
|
1.0
|
N1
|
A:NCO109
|
2.0
|
88.2
|
1.0
|
N2
|
A:NCO109
|
2.0
|
88.1
|
1.0
|
N4
|
A:NCO109
|
2.0
|
88.5
|
1.0
|
N6
|
A:NCO109
|
2.0
|
88.2
|
1.0
|
N5
|
A:NCO109
|
2.0
|
88.1
|
1.0
|
O
|
A:HOH387
|
3.8
|
49.8
|
1.0
|
OP1
|
A:A24
|
3.8
|
32.3
|
1.0
|
OP2
|
A:C71
|
4.0
|
24.4
|
1.0
|
O
|
A:HOH465
|
4.3
|
45.5
|
1.0
|
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Cobalt binding site 9 out
of 9 in 3fo6
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Cobalt Binding Sites List in 3fo6
Cobalt binding site 9 out
of 9 in the Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine
 Mono view
 Stereo pair view
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A full contact list of Cobalt with other atoms in the Co binding
site number 9 of Crystal Structure of Guanine Riboswitch Bound to 6-O- Methylguanine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co112
b:34.3
occ:1.00
|
CO
|
A:NCO112
|
0.0
|
34.3
|
1.0
|
N4
|
A:NCO112
|
2.0
|
41.8
|
0.6
|
N3
|
A:NCO112
|
2.0
|
42.6
|
0.6
|
N5
|
A:NCO112
|
2.0
|
42.7
|
0.6
|
N6
|
A:NCO112
|
2.0
|
42.6
|
0.6
|
N2
|
A:NCO112
|
2.0
|
41.8
|
0.6
|
N1
|
A:NCO112
|
2.0
|
42.3
|
0.6
|
OP1
|
A:G72
|
4.1
|
16.7
|
1.0
|
OP2
|
A:A73
|
4.9
|
31.9
|
1.0
|
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Reference:
S.D.Gilbert,
F.E.Reyes,
A.L.Edwards,
R.T.Batey.
Adaptive Ligand Binding By the Purine Riboswitch in the Recognition of Guanine and Adenine Analogs. Structure V. 17 857 2009.
ISSN: ISSN 0969-2126
PubMed: 19523903
DOI: 10.1016/J.STR.2009.04.009
Page generated: Tue Jul 30 15:56:24 2024
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