Cobalt in PDB 3npq: Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A
Protein crystallography data
The structure of Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A, PDB code: 3npq
was solved by
F.E.Reyes,
A.E.Edwards,
R.T.Batey,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
23.01 /
2.18
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
93.793,
103.241,
69.583,
90.00,
97.90,
90.00
|
R / Rfree (%)
|
23.5 /
24.5
|
Cobalt Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
15;
Binding sites:
The binding sites of Cobalt atom in the Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A
(pdb code 3npq). This binding sites where shown within
5.0 Angstroms radius around Cobalt atom.
In total 15 binding sites of Cobalt where determined in the
Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A, PDB code: 3npq:
Jump to Cobalt binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Cobalt binding site 1 out
of 15 in 3npq
Go back to
Cobalt Binding Sites List in 3npq
Cobalt binding site 1 out
of 15 in the Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co56
b:67.6
occ:1.00
|
CO
|
A:NCO56
|
0.0
|
67.6
|
1.0
|
N6
|
A:NCO56
|
2.0
|
51.4
|
1.0
|
N4
|
A:NCO56
|
2.0
|
64.1
|
1.0
|
N3
|
A:NCO56
|
2.0
|
56.3
|
1.0
|
N1
|
A:NCO56
|
2.0
|
46.5
|
1.0
|
N2
|
A:NCO56
|
2.0
|
48.0
|
1.0
|
N5
|
A:NCO56
|
2.0
|
61.6
|
1.0
|
O6
|
A:G15
|
3.8
|
44.4
|
1.0
|
OP2
|
A:C28
|
4.1
|
49.5
|
1.0
|
O
|
A:HOH112
|
4.6
|
35.6
|
1.0
|
O
|
A:HOH311
|
4.7
|
42.9
|
1.0
|
OP2
|
A:C13
|
4.8
|
59.9
|
1.0
|
O
|
A:HOH326
|
4.8
|
33.0
|
1.0
|
O
|
A:HOH228
|
4.9
|
39.4
|
1.0
|
C6
|
A:G15
|
5.0
|
40.5
|
1.0
|
|
Cobalt binding site 2 out
of 15 in 3npq
Go back to
Cobalt Binding Sites List in 3npq
Cobalt binding site 2 out
of 15 in the Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co57
b:73.4
occ:1.00
|
CO
|
A:NCO57
|
0.0
|
73.4
|
1.0
|
N4
|
A:NCO57
|
2.0
|
69.7
|
1.0
|
N1
|
A:NCO57
|
2.0
|
55.2
|
1.0
|
N5
|
A:NCO57
|
2.0
|
70.0
|
1.0
|
N6
|
A:NCO57
|
2.0
|
84.2
|
1.0
|
N2
|
A:NCO57
|
2.0
|
53.4
|
1.0
|
N3
|
A:NCO57
|
2.0
|
85.4
|
1.0
|
O
|
A:HOH320
|
3.5
|
50.1
|
1.0
|
O
|
A:HOH84
|
4.0
|
57.1
|
1.0
|
O
|
A:HOH254
|
4.3
|
43.4
|
1.0
|
OP1
|
A:A24
|
4.6
|
42.1
|
1.0
|
O
|
A:HOH141
|
4.9
|
42.8
|
1.0
|
N7
|
A:G25
|
4.9
|
35.9
|
1.0
|
O
|
A:HOH551
|
5.0
|
50.2
|
1.0
|
|
Cobalt binding site 3 out
of 15 in 3npq
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Cobalt Binding Sites List in 3npq
Cobalt binding site 3 out
of 15 in the Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co58
b:72.0
occ:1.00
|
CO
|
A:NCO58
|
0.0
|
72.0
|
1.0
|
N6
|
A:NCO58
|
2.0
|
52.6
|
1.0
|
N4
|
A:NCO58
|
2.0
|
44.5
|
1.0
|
N2
|
A:NCO58
|
2.0
|
49.7
|
1.0
|
N1
|
A:NCO58
|
2.0
|
53.8
|
1.0
|
N5
|
A:NCO58
|
2.0
|
42.0
|
1.0
|
N3
|
A:NCO58
|
2.0
|
43.3
|
1.0
|
OP2
|
A:C16
|
4.0
|
53.3
|
1.0
|
N6
|
A:A18
|
4.1
|
38.0
|
1.0
|
N7
|
A:A17
|
4.1
|
51.6
|
1.0
|
O2'
|
A:G15
|
4.1
|
47.2
|
1.0
|
OP2
|
A:A17
|
4.3
|
51.8
|
1.0
|
O2
|
A:C28
|
4.3
|
43.1
|
1.0
|
O
|
A:HOH141
|
4.3
|
42.8
|
1.0
|
O
|
A:HOH84
|
4.3
|
57.1
|
1.0
|
O6
|
A:G19
|
4.4
|
38.1
|
1.0
|
O
|
A:HOH254
|
4.4
|
43.4
|
1.0
|
N7
|
A:A18
|
4.5
|
42.1
|
1.0
|
O
|
A:HOH471
|
4.6
|
50.6
|
1.0
|
N3
|
A:C27
|
4.6
|
39.5
|
1.0
|
C8
|
A:A17
|
4.7
|
50.9
|
1.0
|
N4
|
A:C26
|
4.8
|
37.1
|
1.0
|
C5
|
A:C16
|
4.9
|
43.8
|
1.0
|
N4
|
A:C27
|
4.9
|
36.0
|
1.0
|
|
Cobalt binding site 4 out
of 15 in 3npq
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Cobalt Binding Sites List in 3npq
Cobalt binding site 4 out
of 15 in the Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 4 of Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co59
b:89.3
occ:1.00
|
CO
|
A:NCO59
|
0.0
|
89.3
|
1.0
|
N4
|
A:NCO59
|
2.0
|
64.5
|
1.0
|
N6
|
A:NCO59
|
2.0
|
68.4
|
1.0
|
N1
|
A:NCO59
|
2.0
|
63.9
|
1.0
|
N3
|
A:NCO59
|
2.0
|
79.9
|
1.0
|
N5
|
A:NCO59
|
2.0
|
55.2
|
1.0
|
N2
|
A:NCO59
|
2.0
|
79.5
|
1.0
|
O
|
A:HOH491
|
3.7
|
51.4
|
1.0
|
OP1
|
A:G23
|
3.8
|
54.6
|
1.0
|
OP2
|
A:G23
|
4.7
|
37.6
|
1.0
|
N7
|
A:G21
|
4.7
|
41.8
|
1.0
|
P
|
A:G23
|
4.7
|
41.2
|
1.0
|
|
Cobalt binding site 5 out
of 15 in 3npq
Go back to
Cobalt Binding Sites List in 3npq
Cobalt binding site 5 out
of 15 in the Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 5 of Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co60
b:21.2
occ:1.00
|
CO
|
A:NCO60
|
0.0
|
21.2
|
1.0
|
N4
|
A:NCO60
|
2.0
|
21.2
|
1.0
|
N1
|
A:NCO60
|
2.0
|
21.2
|
1.0
|
N6
|
A:NCO60
|
2.0
|
21.2
|
1.0
|
N2
|
A:NCO60
|
2.0
|
21.2
|
1.0
|
N3
|
A:NCO60
|
2.0
|
21.2
|
1.0
|
N5
|
A:NCO60
|
2.0
|
21.2
|
1.0
|
O
|
A:HOH348
|
3.6
|
47.4
|
1.0
|
O
|
A:HOH296
|
3.8
|
33.4
|
1.0
|
O
|
A:HOH398
|
3.9
|
38.5
|
1.0
|
O
|
A:HOH531
|
4.0
|
50.2
|
1.0
|
OP1
|
A:A9
|
4.1
|
52.7
|
1.0
|
O
|
A:HOH191
|
4.2
|
32.3
|
1.0
|
N7
|
A:G7
|
4.5
|
20.4
|
1.0
|
OP2
|
A:G7
|
4.6
|
38.6
|
1.0
|
O
|
A:HOH527
|
4.8
|
50.2
|
1.0
|
|
Cobalt binding site 6 out
of 15 in 3npq
Go back to
Cobalt Binding Sites List in 3npq
Cobalt binding site 6 out
of 15 in the Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 6 of Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co56
b:94.9
occ:1.00
|
CO
|
B:NCO56
|
0.0
|
94.9
|
1.0
|
N4
|
B:NCO56
|
2.0
|
86.1
|
1.0
|
N1
|
B:NCO56
|
2.0
|
80.4
|
1.0
|
N3
|
B:NCO56
|
2.0
|
85.3
|
1.0
|
N5
|
B:NCO56
|
2.0
|
0.0
|
1.0
|
N2
|
B:NCO56
|
2.0
|
67.5
|
1.0
|
N6
|
B:NCO56
|
2.0
|
70.2
|
1.0
|
OP1
|
B:A24
|
4.0
|
50.7
|
1.0
|
O
|
B:HOH168
|
4.2
|
42.9
|
1.0
|
N7
|
B:G25
|
4.4
|
52.1
|
1.0
|
OP2
|
B:A24
|
4.6
|
41.1
|
1.0
|
P
|
B:A24
|
4.9
|
46.5
|
1.0
|
O6
|
B:G25
|
5.0
|
46.4
|
1.0
|
|
Cobalt binding site 7 out
of 15 in 3npq
Go back to
Cobalt Binding Sites List in 3npq
Cobalt binding site 7 out
of 15 in the Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 7 of Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co57
b:76.0
occ:1.00
|
CO
|
B:NCO57
|
0.0
|
76.0
|
1.0
|
N4
|
B:NCO57
|
2.0
|
47.6
|
1.0
|
N1
|
B:NCO57
|
2.0
|
52.6
|
1.0
|
N5
|
B:NCO57
|
2.0
|
51.0
|
1.0
|
N3
|
B:NCO57
|
2.0
|
49.7
|
1.0
|
N2
|
B:NCO57
|
2.0
|
63.9
|
1.0
|
N6
|
B:NCO57
|
2.0
|
48.3
|
1.0
|
OP2
|
B:C16
|
4.0
|
45.9
|
1.0
|
N6
|
B:A18
|
4.0
|
42.1
|
1.0
|
O2'
|
B:G15
|
4.1
|
36.6
|
1.0
|
N7
|
B:A17
|
4.2
|
40.0
|
1.0
|
O
|
B:HOH533
|
4.2
|
50.2
|
1.0
|
O
|
B:HOH359
|
4.2
|
53.2
|
1.0
|
O2
|
B:C28
|
4.2
|
34.3
|
1.0
|
O
|
B:HOH168
|
4.3
|
42.9
|
1.0
|
O6
|
B:G19
|
4.3
|
43.3
|
1.0
|
OP2
|
B:A17
|
4.4
|
43.3
|
1.0
|
N3
|
B:C27
|
4.5
|
37.6
|
1.0
|
N7
|
B:A18
|
4.6
|
44.8
|
1.0
|
N4
|
B:C26
|
4.7
|
37.0
|
1.0
|
N4
|
B:C27
|
4.7
|
34.5
|
1.0
|
C8
|
B:A17
|
4.8
|
42.5
|
1.0
|
C5
|
B:C16
|
4.9
|
38.0
|
1.0
|
C2
|
B:C28
|
4.9
|
32.7
|
1.0
|
|
Cobalt binding site 8 out
of 15 in 3npq
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Cobalt Binding Sites List in 3npq
Cobalt binding site 8 out
of 15 in the Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 8 of Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co58
b:84.5
occ:1.00
|
CO
|
B:NCO58
|
0.0
|
84.5
|
1.0
|
N2
|
B:NCO58
|
2.0
|
60.0
|
1.0
|
N6
|
B:NCO58
|
2.0
|
69.9
|
1.0
|
N1
|
B:NCO58
|
2.0
|
68.9
|
1.0
|
N4
|
B:NCO58
|
2.0
|
85.6
|
1.0
|
N3
|
B:NCO58
|
2.0
|
68.0
|
1.0
|
N5
|
B:NCO58
|
2.0
|
71.3
|
1.0
|
O6
|
B:G15
|
3.8
|
42.0
|
1.0
|
O
|
B:HOH349
|
4.0
|
48.3
|
1.0
|
OP2
|
B:C28
|
4.2
|
49.9
|
1.0
|
OP2
|
B:A29
|
4.9
|
49.7
|
1.0
|
C6
|
B:G15
|
5.0
|
35.9
|
1.0
|
OP2
|
B:C13
|
5.0
|
75.4
|
1.0
|
|
Cobalt binding site 9 out
of 15 in 3npq
Go back to
Cobalt Binding Sites List in 3npq
Cobalt binding site 9 out
of 15 in the Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 9 of Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co59
b:0.5
occ:1.00
|
CO
|
B:NCO59
|
0.0
|
0.5
|
1.0
|
N2
|
B:NCO59
|
2.0
|
89.9
|
1.0
|
N5
|
B:NCO59
|
2.0
|
99.3
|
1.0
|
N1
|
B:NCO59
|
2.0
|
79.5
|
1.0
|
N4
|
B:NCO59
|
2.0
|
66.4
|
1.0
|
N3
|
B:NCO59
|
2.0
|
83.5
|
1.0
|
N6
|
B:NCO59
|
2.0
|
65.7
|
1.0
|
O
|
B:HOH291
|
3.8
|
53.6
|
1.0
|
O
|
B:HOH75
|
3.9
|
47.6
|
1.0
|
OP1
|
B:G23
|
4.1
|
57.4
|
1.0
|
N7
|
B:G21
|
4.2
|
52.0
|
1.0
|
OP2
|
B:G23
|
4.5
|
38.9
|
1.0
|
C8
|
B:G21
|
4.8
|
52.4
|
1.0
|
P
|
B:G23
|
4.9
|
39.5
|
1.0
|
C5
|
B:G21
|
5.0
|
53.7
|
1.0
|
|
Cobalt binding site 10 out
of 15 in 3npq
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Cobalt Binding Sites List in 3npq
Cobalt binding site 10 out
of 15 in the Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 10 of Structure of the S-Adenosylhomocysteine Riboswitch at 2.18 A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co60
b:21.2
occ:1.00
|
CO
|
B:NCO60
|
0.0
|
21.2
|
1.0
|
N3
|
B:NCO60
|
2.0
|
21.2
|
1.0
|
N4
|
B:NCO60
|
2.0
|
21.2
|
1.0
|
N1
|
B:NCO60
|
2.0
|
21.2
|
1.0
|
N5
|
B:NCO60
|
2.0
|
21.2
|
1.0
|
N2
|
B:NCO60
|
2.0
|
21.2
|
1.0
|
N6
|
B:NCO60
|
2.0
|
21.2
|
1.0
|
O
|
B:HOH530
|
3.6
|
50.2
|
1.0
|
O
|
B:HOH517
|
3.8
|
50.2
|
1.0
|
O
|
B:HOH452
|
3.8
|
50.6
|
1.0
|
O
|
B:HOH444
|
3.8
|
50.6
|
1.0
|
OP1
|
B:A9
|
4.0
|
57.4
|
1.0
|
N7
|
B:G7
|
4.4
|
41.9
|
1.0
|
OP2
|
B:G7
|
4.4
|
39.8
|
1.0
|
O
|
B:HOH77
|
4.4
|
38.9
|
1.0
|
O
|
B:HOH488
|
4.8
|
51.4
|
1.0
|
C8
|
B:G7
|
4.9
|
40.1
|
1.0
|
OP2
|
B:A9
|
4.9
|
48.8
|
1.0
|
P
|
B:A9
|
5.0
|
50.9
|
1.0
|
|
Reference:
A.L.Edwards,
F.E.Reyes,
A.Heroux,
R.T.Batey.
Structural Basis For Recognition of S-Adenosylhomocysteine By Riboswitches. Rna V. 16 2144 2010.
ISSN: ISSN 1355-8382
PubMed: 20864509
DOI: 10.1261/RNA.2341610
Page generated: Tue Jul 30 16:20:53 2024
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