Chemistry Reference
In-Depth Information
Table 16.1
13
C chemical shift perturbations upon metal-ion binding
a
Sample (M)/solvent/additive (M)
Metal
Site
C2
C4
C5 5-CH
3
C6
C8 Reference
thymidine (isolated T-Hg
II
-T)/DMSO/-
Hg
II
(0.5 eq.)
N3 +2.7
+2.4
+0.5
0.0 n.a.
58, (59)
−
0.2
thymidine (isolated CH
3
Hg
II
-T)/DMSO/-
CH
3
Hg
II
(1.0 eq.)
N3 +2.6
+2.6
+0.5 +0.3
n.a.
58
−
0.3
d(GCGC
T
TTTGCGC)
b
(2 mM)/ H
2
O (pH 6.0)/-
Hg
II
(2.0 mM)
N3 N.D.
N.D.
+0.1 +0.9
+0.4 n.a.
80
d(GCGCTTT
T
GCGC)
b
(2 mM)/ H
2
O (pH 6.0)/-
Hg
II
(2.0 mM)
N3 N.D.
N.D.
+0.9 +1.1
+0.3 n.a.
80
guanosine (isolated G-Hg
II
-G)/DMSO/-
Hg
II
(0.5 eq.)
N1 +4.0
+0.8
+0.5 n.a.
+4.6 +0.4
58, (59)
guanosine (0.2 M)/DMSO/Et
3
N (0.4 M)
Hg
II
(0.7 M)
N1 +3.90
0.48
1.78 n.a.
+2.75 +1.04
56
−
−
2
-deoxyguanosine/DMSO/Et
3
N
Hg
II
N1 +4.07 -
-
n.a.
+3.04 -
56
′
inosine/DMSO/Et
3
N
Hg
II
(0.7 M)
N1 +5.69
0.18
0.37 n.a.
+2.58 +0.24
56
−
−
1-methylguanosine (0.2 M)/DMSO/Et
3
N (0.4 M)
Hg
II
(0.7 M)
N1 +0.23
−
0.65
−
1.42 n.a.
−
0.40 +0.98
56
guanosine (isolated CH
3
Hg
II
-G)/DMSO/-
CH
3
Hg
II
(1.0 eq.)
N1 +3.9
0.0
+2.1 n.a.
+5.6
−
0.5
58, (57)
inosine (isolated CH
3
Hg
II
-I)/DMSO/-
CH
3
Hg
II
(1.0 eq.)
N1 +2.6
+0.9
+0.2 n.a.
+3.4
−
2.0
57
5
′
-GMP (isolated CH
3
Hg
II
-GMP)/H
2
O (pH 8.0)/-
CH
3
Hg
II
(1.0 eq.)
N1
∼
+3
∼
−
0.5
∼
+1
n.a.
∼
+3
∼
0
64
guanosine (0.2 M)/DMSO/-
Hg
II
(0.7 M)
- +0.69
−
1.24
−
2.63 n.a.
−
1.04 +1.61
56
2
′
-deoxyguanosine/DMSO/-
Hg
II
- -
-
−
2.76 n.a.
-
+1.75
56
inosine/DMSO/-
Hg
II
(0.7 M)
- +0.88
−
0.66
−
1.27 n.a.
−
0.37 +0.67
56
1-methylguanosine (0.2 M)/DMSO/-
Hg
II
(0.7 M)
- +0.54
−
1.25
−
2.60 n.a.
−
0.85 +1.88
56
Me
p
dG (10 mM)/H
2
O (pH 7.5)/-
Hg
II
(2 mM)
N7 -
-
-
n.a.
−
0.03 +0.13
65
dG
p
Me (10 mM)/H
2
O (pH 7.5)/-
Hg
II
(2 mM)
N7 -
-
-
n.a.
N.D.
+0.07
65
Me
p
dG (10 mM)/H
2
O (pH 7.5)/-
Zn
II
(20 mM)
N7 -
-
-
n.a.
0.11
+0.48
65
−
dG
p
Me (10 mM)/H
2
O (pH 7.5)/-
Zn
II
(20 mM)
N7 -
-
-
n.a.
0.04
+0.32
65
−
d(ATG
G
GTACCCAT)
2
b
(1.7 mM)/ H
2
O (pH 6)/-
Zn
II
(13.0 mM)
N7 -
-
-
-
-
+2.5
103
d(ATG
G
GTACCCAT)
2
b
(1.7 mM)/ H
2
O (pH 6)/-
Zn
II
(7.5 mM)
N7 -
-
−
0.7
-
-
-
103
r(GGACGA
G
UCC)
2
b
/ H
2
O (pH 6.0)/-
Cd
II
(5 eq.)
N7 -
-
-
-
-
+2.3
76, (105)
d(TG
G
T) (15 mM)/ H
2
O (pH 6)/-
Pt
II
(15 mM)
N7 -
-
-
+1.1
104
−
0.5
−
1.8
cytidine (0.2 M)/DMSO/-
Hg
II
(0.5 M)
N3
+1.7 n.a.
+0.9 n.a.
53
−
2.7
−
2.2
CH
3
Hg
II
(0.2 eq.)
-
n.a.
n.a.
64
3
′
-CMP/H
2
O (pH 6.0)/-
∼
0.7
∼
−
0.5
∼
+1.5
∼
−
0.2
a
Chemical shift changes are listed in ppm. Positive and negative values represent lower-fi eld shifts and higher-fi eld shifts, respectively. Me
p
dG: methylester of 5
′
-GMP; dG
p
Me:
methylester of 3
-GMP; n.a.: not applicable; N.D.: not detected; -: not recorded.
b
For DNA/RNA oligomers, the chemical shift changes of the underlined residues are indicated.
′
