Cobalt in PDB 5d8t: Rna Octamer Containing (S)-5' Methyl, 2'-F U.
Protein crystallography data
The structure of Rna Octamer Containing (S)-5' Methyl, 2'-F U., PDB code: 5d8t
was solved by
J.M.Harp,
M.Egli,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.24 /
1.20
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
31.172,
31.172,
84.325,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
12 /
15.7
|
Other elements in 5d8t:
The structure of Rna Octamer Containing (S)-5' Methyl, 2'-F U. also contains other interesting chemical elements:
Cobalt Binding Sites:
The binding sites of Cobalt atom in the Rna Octamer Containing (S)-5' Methyl, 2'-F U.
(pdb code 5d8t). This binding sites where shown within
5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the
Rna Octamer Containing (S)-5' Methyl, 2'-F U., PDB code: 5d8t:
Jump to Cobalt binding site number:
1;
2;
3;
4;
Cobalt binding site 1 out
of 4 in 5d8t
Go back to
Cobalt Binding Sites List in 5d8t
Cobalt binding site 1 out
of 4 in the Rna Octamer Containing (S)-5' Methyl, 2'-F U.
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of Rna Octamer Containing (S)-5' Methyl, 2'-F U. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co101
b:11.1
occ:1.00
|
CO
|
A:NCO101
|
0.0
|
11.1
|
1.0
|
N1
|
A:NCO101
|
2.0
|
13.7
|
1.0
|
N2
|
A:NCO101
|
2.0
|
14.6
|
1.0
|
N6
|
A:NCO101
|
2.0
|
11.6
|
1.0
|
N3
|
A:NCO101
|
2.0
|
12.5
|
1.0
|
N5
|
A:NCO101
|
2.0
|
10.6
|
1.0
|
N4
|
A:NCO101
|
2.0
|
14.8
|
1.0
|
HN13
|
A:NCO101
|
2.5
|
14.3
|
1.0
|
HN21
|
A:NCO101
|
2.5
|
14.3
|
1.0
|
HN11
|
A:NCO101
|
2.5
|
14.3
|
1.0
|
HN12
|
A:NCO101
|
2.5
|
14.5
|
1.0
|
HN23
|
A:NCO101
|
2.5
|
15.9
|
1.0
|
HN22
|
A:NCO101
|
2.5
|
14.9
|
1.0
|
HN62
|
A:NCO101
|
2.5
|
12.8
|
1.0
|
HN61
|
A:NCO101
|
2.5
|
13.2
|
1.0
|
HN63
|
A:NCO101
|
2.5
|
13.3
|
1.0
|
HN32
|
A:NCO101
|
2.5
|
13.8
|
1.0
|
HN52
|
A:NCO101
|
2.6
|
12.2
|
1.0
|
HN33
|
A:NCO101
|
2.6
|
13.3
|
1.0
|
HN31
|
A:NCO101
|
2.6
|
13.7
|
1.0
|
HN42
|
A:NCO101
|
2.6
|
14.4
|
1.0
|
HN43
|
A:NCO101
|
2.6
|
15.2
|
1.0
|
HN51
|
A:NCO101
|
2.6
|
12.8
|
1.0
|
HN53
|
A:NCO101
|
2.6
|
11.8
|
1.0
|
HN41
|
A:NCO101
|
2.6
|
15.3
|
1.0
|
O
|
A:HOH225
|
4.0
|
23.9
|
1.0
|
O
|
B:HOH222
|
4.0
|
13.9
|
1.0
|
O
|
A:HOH236
|
4.0
|
24.9
|
1.0
|
O
|
A:HOH223
|
4.0
|
12.5
|
1.0
|
O
|
A:HOH237
|
4.2
|
14.7
|
1.0
|
OP2
|
A:A3
|
4.2
|
11.3
|
1.0
|
O
|
A:HOH210
|
4.3
|
17.2
|
1.0
|
O4
|
A:U5M5
|
4.3
|
9.2
|
1.0
|
O
|
A:HOH220
|
4.4
|
27.5
|
1.0
|
O
|
A:HOH230
|
4.4
|
14.6
|
1.0
|
O
|
A:HOH233
|
4.4
|
26.1
|
1.0
|
H5
|
A:U5M5
|
4.8
|
8.8
|
1.0
|
O
|
A:HOH244
|
4.8
|
28.2
|
1.0
|
|
Cobalt binding site 2 out
of 4 in 5d8t
Go back to
Cobalt Binding Sites List in 5d8t
Cobalt binding site 2 out
of 4 in the Rna Octamer Containing (S)-5' Methyl, 2'-F U.
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of Rna Octamer Containing (S)-5' Methyl, 2'-F U. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co102
b:17.4
occ:1.00
|
CO
|
A:NCO102
|
0.0
|
17.4
|
1.0
|
N1
|
A:NCO102
|
1.9
|
17.7
|
1.0
|
N2
|
A:NCO102
|
2.0
|
21.1
|
1.0
|
N5
|
A:NCO102
|
2.0
|
23.7
|
1.0
|
N4
|
A:NCO102
|
2.0
|
23.7
|
1.0
|
N6
|
A:NCO102
|
2.0
|
18.0
|
1.0
|
N3
|
A:NCO102
|
2.0
|
17.0
|
1.0
|
HN13
|
A:NCO102
|
2.5
|
18.2
|
1.0
|
HN12
|
A:NCO102
|
2.5
|
18.1
|
1.0
|
HN11
|
A:NCO102
|
2.5
|
18.2
|
1.0
|
HN51
|
A:NCO102
|
2.5
|
22.1
|
1.0
|
HN42
|
A:NCO102
|
2.5
|
22.9
|
1.0
|
HN52
|
A:NCO102
|
2.5
|
22.4
|
1.0
|
HN22
|
A:NCO102
|
2.5
|
20.5
|
1.0
|
HN21
|
A:NCO102
|
2.5
|
21.0
|
1.0
|
HN43
|
A:NCO102
|
2.5
|
20.4
|
1.0
|
HN23
|
A:NCO102
|
2.5
|
18.2
|
1.0
|
HN41
|
A:NCO102
|
2.5
|
21.2
|
1.0
|
HN53
|
A:NCO102
|
2.5
|
21.4
|
1.0
|
HN61
|
A:NCO102
|
2.5
|
18.1
|
1.0
|
HN62
|
A:NCO102
|
2.5
|
18.2
|
1.0
|
HN63
|
A:NCO102
|
2.5
|
18.4
|
1.0
|
HN32
|
A:NCO102
|
2.6
|
16.8
|
1.0
|
HN33
|
A:NCO102
|
2.6
|
18.6
|
1.0
|
HN31
|
A:NCO102
|
2.6
|
16.2
|
1.0
|
OP1
|
A:A4
|
4.0
|
9.7
|
1.0
|
O
|
A:HOH240
|
4.0
|
53.1
|
1.0
|
O
|
A:HOH242
|
4.1
|
31.2
|
1.0
|
OP2
|
A:U5M5
|
4.4
|
11.6
|
1.0
|
|
Cobalt binding site 3 out
of 4 in 5d8t
Go back to
Cobalt Binding Sites List in 5d8t
Cobalt binding site 3 out
of 4 in the Rna Octamer Containing (S)-5' Methyl, 2'-F U.
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of Rna Octamer Containing (S)-5' Methyl, 2'-F U. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co101
b:11.5
occ:1.00
|
CO
|
B:NCO101
|
0.0
|
11.5
|
1.0
|
N3
|
B:NCO101
|
1.9
|
14.8
|
1.0
|
N1
|
B:NCO101
|
2.0
|
13.3
|
1.0
|
N4
|
B:NCO101
|
2.0
|
12.4
|
1.0
|
N6
|
B:NCO101
|
2.0
|
12.2
|
1.0
|
N5
|
B:NCO101
|
2.0
|
12.1
|
1.0
|
N2
|
B:NCO101
|
2.0
|
9.8
|
1.0
|
HN33
|
B:NCO101
|
2.4
|
13.4
|
1.0
|
HN32
|
B:NCO101
|
2.4
|
13.4
|
1.0
|
HN31
|
B:NCO101
|
2.4
|
14.3
|
1.0
|
HN13
|
B:NCO101
|
2.5
|
13.0
|
1.0
|
HN12
|
B:NCO101
|
2.5
|
12.7
|
1.0
|
HN43
|
B:NCO101
|
2.5
|
12.3
|
1.0
|
HN41
|
B:NCO101
|
2.5
|
12.1
|
1.0
|
HN62
|
B:NCO101
|
2.5
|
12.1
|
1.0
|
HN63
|
B:NCO101
|
2.5
|
12.7
|
1.0
|
HN11
|
B:NCO101
|
2.5
|
12.9
|
1.0
|
HN42
|
B:NCO101
|
2.5
|
12.6
|
1.0
|
HN53
|
B:NCO101
|
2.5
|
11.6
|
1.0
|
HN51
|
B:NCO101
|
2.5
|
12.7
|
1.0
|
HN52
|
B:NCO101
|
2.5
|
12.4
|
1.0
|
HN61
|
B:NCO101
|
2.5
|
12.0
|
1.0
|
HN23
|
B:NCO101
|
2.6
|
9.8
|
1.0
|
HN21
|
B:NCO101
|
2.6
|
10.4
|
1.0
|
HN22
|
B:NCO101
|
2.6
|
10.3
|
1.0
|
OP2
|
B:A3
|
3.7
|
9.2
|
1.0
|
O
|
A:HOH238
|
3.9
|
16.1
|
1.0
|
O
|
A:HOH215
|
3.9
|
15.2
|
1.0
|
O
|
B:HOH241
|
3.9
|
22.9
|
1.0
|
O
|
B:HOH229
|
4.1
|
10.9
|
1.0
|
O
|
B:HOH230
|
4.2
|
15.4
|
1.0
|
O
|
B:HOH247
|
4.2
|
20.3
|
1.0
|
O5'
|
A:CBV1
|
4.3
|
10.6
|
1.0
|
O
|
B:HOH225
|
4.5
|
18.4
|
1.0
|
OP2
|
A:G2
|
4.5
|
10.6
|
1.0
|
OP2
|
B:G2
|
4.7
|
12.4
|
1.0
|
|
Cobalt binding site 4 out
of 4 in 5d8t
Go back to
Cobalt Binding Sites List in 5d8t
Cobalt binding site 4 out
of 4 in the Rna Octamer Containing (S)-5' Methyl, 2'-F U.
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 4 of Rna Octamer Containing (S)-5' Methyl, 2'-F U. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co102
b:14.5
occ:1.00
|
CO
|
B:NCO102
|
0.0
|
14.5
|
1.0
|
N3
|
B:NCO102
|
2.0
|
18.1
|
1.0
|
N2
|
B:NCO102
|
2.0
|
20.1
|
1.0
|
N6
|
B:NCO102
|
2.0
|
27.7
|
1.0
|
N4
|
B:NCO102
|
2.0
|
20.0
|
1.0
|
N5
|
B:NCO102
|
2.0
|
21.5
|
1.0
|
N1
|
B:NCO102
|
2.0
|
14.9
|
1.0
|
HN31
|
B:NCO102
|
2.5
|
18.8
|
1.0
|
HN23
|
B:NCO102
|
2.5
|
19.0
|
1.0
|
HN32
|
B:NCO102
|
2.5
|
17.8
|
1.0
|
HN33
|
B:NCO102
|
2.5
|
16.1
|
1.0
|
HN21
|
B:NCO102
|
2.5
|
19.3
|
1.0
|
HN42
|
B:NCO102
|
2.5
|
19.0
|
1.0
|
HN22
|
B:NCO102
|
2.5
|
19.5
|
1.0
|
HN61
|
B:NCO102
|
2.5
|
24.6
|
1.0
|
HN43
|
B:NCO102
|
2.5
|
18.3
|
1.0
|
HN41
|
B:NCO102
|
2.5
|
19.2
|
1.0
|
HN63
|
B:NCO102
|
2.5
|
24.0
|
1.0
|
HN62
|
B:NCO102
|
2.5
|
25.3
|
1.0
|
HN52
|
B:NCO102
|
2.5
|
20.0
|
1.0
|
HN53
|
B:NCO102
|
2.5
|
19.5
|
1.0
|
HN51
|
B:NCO102
|
2.5
|
19.9
|
1.0
|
HN12
|
B:NCO102
|
2.5
|
15.9
|
1.0
|
HN13
|
B:NCO102
|
2.6
|
15.4
|
1.0
|
HN11
|
B:NCO102
|
2.6
|
15.6
|
1.0
|
O
|
B:HOH215
|
4.1
|
31.9
|
1.0
|
O
|
B:HOH224
|
4.1
|
17.9
|
1.0
|
O
|
B:HOH225
|
4.4
|
18.4
|
1.0
|
O
|
B:HOH247
|
4.7
|
20.3
|
1.0
|
O
|
B:HOH206
|
4.8
|
18.0
|
1.0
|
|
Reference:
A.V.Kel In,
I.Zlatev,
J.Harp,
M.Jayaraman,
A.Bisbe,
J.O Shea,
N.Taneja,
R.M.Manoharan,
S.Khan,
K.Charisse,
M.A.Maier,
M.Egli,
K.G.Rajeev,
M.Manoharan.
Structural Basis of Duplex Thermodynamic Stability and Enhanced Nuclease Resistance of 5'-C-Methyl Pyrimidine-Modified Oligonucleotides. J.Org.Chem. V. 81 2261 2016.
ISSN: ISSN 0022-3263
PubMed: 26940174
DOI: 10.1021/ACS.JOC.5B02375
Page generated: Tue Jul 30 17:49:47 2024
|