Research Article
Synthetic Peptides as Structural Maquettes of Angiotensin-I Converting Enzyme Catalytic Sites
Table 2
1H,
15N, and
13C chemical shifts (ppm) of the residues in the Zn
2+-
(37) peptide at 298K (H
2O/TFE-
d2 34%/66% v/v. pH = 4.9).
| Residue | HN/N | H/C | H/C | Other |
| 1 | His | | 4.44 | | H2 7.34; H1 8.48 | | 55.45 | | C 2 120.14 C 1 141.76 | 2 | His | 7.92 | 4.83 | 3.41/3.37 | H2 7.31; H1 8.42 | N 117.71 | 55.86 | 28.53 | C 2 119.85 C 1 136.29 | 3 | Glu | 8.44 | 4.47 | 2.15 | CH3 2.64 | N 121.00 | 56.93 | 31.82 | 31.95 | 4 | Met | | 4.30 | 2.12/2.06 | H 2.44; | | 58.52 | 33.59 | Cγ34.85 | 5 | Gly | 8.22 | 3.98 | N 109.22 | 45.83 | 6 | His | 8.22 | 4.69 | 3.39 | H2 7.25; H1 8.50 | N.119.42 | 57.33 | 28.64 | C 2 119.79 C 1 138.23 | 7 | Ile | 8.06 | 4.04 | 2.07 | H 1.71/1.31; CH3 1.03 CH3 0.97 | N 122.46 | 64.13 | 38.09 | C 1 28.41 C 2 16.81 C 12.18 | 8 | Gln | 8.44 | 4.08 | 2.15/2.11 | H 2.42; NH2 6.54/7.13 | N 121.01 | 59.04 | 28.57 | C 33.52 N 2 110.83 | 9 | Tyr | 7.90 | 4.27 | 3.12 | H 6.95; H 6.76 | N 120.96 | 61.02 | 38.21 | C 1 132.67 C 1 117.74 | 10 | Phe | 8.07 | 4.37 | 3.33/3.26 | H 7.31; H 7.37 H 7.34 | N 120.42 | 60.74 | 38.84 | C 131.03/129.50 C 131.00/129.43 C 131.36 |
| 11 | Met | 8.43 | 4.21 | 2.23/2.15 | H 2.79/2.72 | N 118.65 | 57.43 | 33.58 | C 32.35 | 12 | Gln | 7.81 | 4.14 | 2.00/1.90 | H 2.22/2.17; NH2 6.40/6.70 | N 118.68 | 57.74 | 28.75 | C 33.50 N 2 110.86 | 13 | Tyr | 7.92 | 4.38 | 3.13/2.82 | H 7.00; H 6.74 | N 120.02 | 59.46 | 39.33 | C 132.81 C 117.84 | 14 | Lys | 7.85 | 4.05 | 1.78/1.81 | H 1.39; CH3 1.64; CH3 3.05 | N 120.09 | 57.76 | 31.58 | C 23.68 C 28.76 C 42.19 | 15 | Asp | 7.90 | 4.83 | 2.93/2.77 | N 118.79 | 53.53 | 39.51 | 16 | Leu | 7.78 | 4.46 | 1.79 | H 1.77; CH3 0.943/0.97 | 123.98 | 56.77 | 41.25 | C 26.83 C 23.25/24.05 | 17 | Pro | | 4.39 | 2.41/1.89 | H 2.11/2.07; H 3.66/3.87 | | 64.61 | 31.21 | C 26.79 C 50.16 | 18 | Val | 7.60 | 3.68 | 2.17 | CH3 1.07/0.98 | N 120.40 | 65.47 | 31.77 | C 20.23/21.25 | 19 | Ala | 7.94 | 4.08 | 1.46 | N 123.38 | 54.68 | 18.08 | 20 | Leu | 7.95 | 4.25 | 1.78 | H 1.63; CH3 0.92/0.89 | N 123.48 | 56.69 | 41.91 | C 27.43 C 22.06/24.33 |
| 21 | Arg | 7.70 | 4.15 | 1.96 | H 1.75/1.63; H 3.15; H 7.06 | N 120.14 | 57.82 | 30.09 | C 26.80 C 42.96 N 135.38 | 22 | Glu | 8.23 | 4.30 | 2.10/2.00 | CH3 2.46/2.42 | N 119.39 | 57.01 | 28.25 | C 33.01 | 23 | Gly | 7.95 | 3.93 | N 108.22. | 45.70 | 24 | Ala | 7.78 | 4.40 | 1.45 | N 123.97 | 52.25 | 18.47 | 25 | Asn | 7.90 | 5.03 | 3.03/2.81 | NH2 6.61/7.50 | N 118.78 | 51.01 | 39.09 | N 2 113.04 | 26 | Pro | | 4.45 | 2.35/2.01 | H 2.07/2.02; H 3.91/3.85 | | 64.33 | 31.50 | C 26.84 C 50.43 | 27 | Gly | 8.34 | 3.94 | | | N 108.27 | 45.73 | | | 28 | Phe | 7.83 | 4.49 | 3.16 | H 7.24; Hε 7.28; H 7.15 | N 122.54 | 59.19 | 39.20 | C 130.90/129.43 C 130.94/129.55 C 131.15 | 29 | His | 8.03 | 4.40 | 3.32/3.28 | H2 7.33; H1 8.51 | N 118.86 | 57.20 | 28.38 | C 2 119.94 C 1 135.99 | 30 | Glu | 8.15 | 4.22 | 2.16/2.12 | CH3 2.46 | N 121.32 | 57.33 | 27.91 | 33.66 |
| 31 | Ala | 8.05 | 4.28 | 1.47 | N 124.86 | 53.62 | 18.02 | 32 | Ile | 7.75 | 4.05 | 1.89 | H 1.41/1.18; CH3 0.85; CH3 0.80 | N 118.32 | 64.06 | 38.03 | C 1 27.29 C 2 16.80 C 12.02 | 33 | Gly | 7.94 | 3.90/3.86 | N 110.35 | 45.81 | 34 | Asp | 7.97 | 4.74 | 2.88 | N 120.63 | 54.30 | 39.45 | 35 | Val | 7.77 | 4.08 | 2.24 | CH3 0.99 | N 120.04 | 63.48 | 32.45 | C 20.23/23.01 | 36 | Leu | 7.83 | 4.39 | 1.71 | H 1.63; CH3 0.92/0.88 | N 125.55 | 55.14 | 42.14 | C 28.74 C 24.36/21.98 | 37 | Ala | 7.55 | 4.24 | 1.43 | N 128.05 | 52.89 | 19.23 |
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