Chazin Home Chazin Home | Ca-binding Protein DB | Vanderbilt Home Vanderbilt Home
Research Description | Publications | Wisdom | Search
Proton chemical shifts in the duocarmycin SA-GTC:GAC complex at pH 7.0, 27 _C.a
DNA Chemical Shifts (ppm)
ResidueN1H,N3H
NH2
 2H,5H,5CH3
6H, 8H
1'H
2'H
2''H
3'H
4'H
5'H,5''H
G1
12.98c
-
7.83
5.48
2.46
2.66
4.79
4.13
3.63
A2
-
7.94
8.26
6.21
2.73
2.83
5.01
4.42
4.04, 4.14
C3
-
6.59,7.66
5.19
7.34
5.86
1.88
2.33
4.76
4.18
4.15, 4.23
T4
11.52
1.64
7.44
5.26
2.22
2.46
4.86
4.18
4.03
A5
-
7.09
8.36
6.06
2.81
2.91
4.98
4.26
4.09, 4.17
A6
-
8.16
7.93
5.93
2.24
2.62
4.58
1.94
2.64, 3.31
T7
13.38
1.11
6.74
5.18
1.41
1.90
4.37
1.90
3.61, 3.82
T8
13.47
1.41
6.94
5.75
1.77
2.32
4.75
3.95
3.15, 3.82
G9
12.47
-
7.84
5.52
2.66
2.72
4.98
4.36
4.09, 4.12
A10
-
7.89
8.11
6.22
2.59
2.83
4.96
4.40
4.21
C11
-
6.66,8.10
5.24
7.25
5.99
2.01
2.08
4.42
3.95
4.04, 4.14
G12
12.99c
-
7.91
5.95
2.62
2.74
4.75
4.18
3.73, 3.77
T13
13.77
1.27
7.39
6.09
2.14
2.48
4.86
4.23
4.10, 4.23
C14
-
6.68,8.48
5.62
7.45
5.42
1.92
2.29
4.79
4.05
4.06, 4.17
A15
-
7.11
8.22
5.94
2.76
2.93
5.03
4.40
4.02, 4.11
A16
-
7.59
8.11
6.16
2.53
2.91
4.99
4.45
4.21, 4.25
T17
14.11
1.25
7.05
5.96
1.98
2.40
4.82
4.21
4.15, 4.28
T18
14.39
1.49
7.08
5.08
1.43
1.25
4.41
2.29
3.80, 3.91
A19
-
8.78,9.31
8.02
8.32
5.53
2.97
2.82
4.94
4.41
2.73, 3.91
G20
12.55
-
7.79
5.43
2.27
2.56
4.67
2.39
3.06, 3.80
T21
13.80
1.39
7.04
6.02
1.97
2.45
4.82
4.00
3.82, 4.08
C22
-
6.97,8.19
5.68
7.54
6.23
2.24
2.24
4.56
3.99
4.03, 4.16
Duocarmycin SA Chemical Shifts (ppm)b
N17H
3H
7H
10H
11H
13H
15CH3
19H
25H
26CH3
27CH3
28CH3
11.11
7.76
7.99
4.84
4.57(a), 5.11(b)
4.15
4.02
7.81
7.34
4.08
3.70
4.10
a Chemical shifts are referenced to 2,2-dimethyl-2-silapentane-5-sulfonate using the HO2H resonance and the calibration curve given by Hartel et al. (1982) and Orbons et al. (1987).

b One additional resonance was identified at 11.98 ppm, but could not be assigned. It belongs to N1H or O6H.

c Detected only at 3C.

.