Research Article
Synthetic Peptides as Structural Maquettes of Angiotensin-I Converting Enzyme Catalytic Sites
Table 1
1H,
15N, and
13C chemical shifts (ppm) of the residues in the Zn
2+-
(37) peptide at 298K (H2O/TFE-
d2 34%/66% v/v. pH = 4.9).
| Residue | HN/N | H/C | H/C | Other |
| 1 | His | | 4.45 | | H2 7.30; H1 8.44 | | 55.39 | | C 120.02 C 1 139.44 | 2 | His | 7.99 | 4.84 | 3.38/3.29 | H2 7.32; H1 8.45 | N 117.01 | 55.84 | 28.45 | C 2 120.05 C 1 137.64 | 3 | Glu | 8.45 | 4.47 | 2.15/2.14 | CH3 2.65/2.62 | N 121.15 | 56.81 | 31.91 | C 31.90 | 4 | Met | | 4.35 | 2.13/2.09 | H 2.49/2.44 | | 57.51 | 33.70 | C 34.78 | 5 | Gly | 8.22 | 3.98 | | | N 109.59 | 45.79 | | | 6 | His | 8.22 | 4.72 | 3.41/3.39 | H2 7.26; H1 8.50 | N. 119.31 | 57.08 | 28.57 | C 119.93 C 1 136.27 | 7 | Ile | 8.11 | 4.05 | 2.07 | H 1.70/1.32; CH3 1.03 CH3 0.98 | N 122.73 | 64.30 | 38.04 | C 1 28.30 C 2 16.79 C 12.22 | 8 | Gln | 8.47 | 4.03 | 2.14/2.11 | H 2.44; NH2 6.55/7.14 | N 120.70 | 59.13 | 28.91 | C 33.65 N 2 110.97 | 9 | Tyr | 7.84 | 4.26 | 3.12 | H 6.96; H 6.75; | N 120.77 | 60.88 | 38.03 | C 1 133.66 C 1 117.77 | 10 | Tyr | 7.87 | 4.29 | 3.26/3.22 | H 7.19; H 6.89; | N 120.23. | 60.82 | 38.11 | C 1 132.73 C 1 117.87 |
| 11 | Leu | 8.34 | 4.04 | 1.99/1.91 | H 1.53; CH3 0.94 | N 119.99 | 57.26 | 41.69 | C 28.36 C 21.77/24.48 | 12 | Gln | 7.81 | 4.11 | 2.01/1.91 | H 2.24/2.16; NH2 6.42/6.99 | N 118.28 | 57.58 | 28.81 | C 33.54 N 2 110.97 | 13 | Tyr | 7.91 | 4.38 | 3.10/2.82 | H 7.00; H 6.76 | N 120.43 | 59.51 | 35.59 | Cδ1 132.82 C 1 117.83 | 14 | Lys | 7.90 | 4.06 | 1.82/1.79 | H 1.39; CH3 1.63; CH3 3.03 | N 120.21 | 57.55 | 31.61 | C 23.71 C 28.57 C 42.06 | 15 | Asp | 7.93 | 4.80 | 2.92/2.76 | N 118.92 | 53.56 | 39.48 | 16 | Leu | 7.76 | 4.54 | 1.79 | H1.58; CH3 0.94/0.94 | 123.89 | 54.95 | 41.64 | C 28.43 C 23.05/24.36 | 17 | Pro | | 4.45 | 2.39/1.95 | H 2.02/1.97; H 3.88/3.64 | | 63.27 | 31.32 | C 26.69 C 50.27 | 18 | Val | 7.74 | 3.79 | 2.17 | CH3 1.06/1.01 | N 120.40 | 65.07 | 31.81 | C 20.89/20.12 | 19 | Ser | 8.02 | 4.23 | 3.99/3.95 | N 116.85 | 60.48 | 20 | Leu | 7.82 | 4.36 | 1.77 | H 1.68; CH3 0.94/0.89 | N 122.93 | 56.20 | 41.96 | C 28.50 C 22.29/24.73 |
| 21 | Arg | 7.77 | 4.20 | 1.93 | H 1.76/1.65; H 3.20; H 7.05 | N 120.34 | 57.49 | 30.15 | C 26.99 C 43.13 Nε135.56 | 22 | Arg | 8.05 | 4.28 | 1.89/1.85 | H 1.75/1.64; H 3.17; H 7.15 | N 121.00 | 57.05 | 30.14 | Cγ26.92 C 43.07 N 135.62 | 23 | Gly | 8.00 | 3.95 | N 109.07 | 45.43 | 24 | Ala | 7.81 | 4.39 | 1.43 | N 124.37 | 52.21 | 19.05 | 25 | Asn | 7.98 | 5.02 | 2.96/2.79 | NH2 6.63/7.47 | N 119.26 | 51.13 | 39.17 | N 2 113.31 | 26 | Pro | | 4.44 | 2.32/1.98 | H 2.07/2.00; H 3.92/3.83 | | 61.79 | 29.10 | C 26.76 C 50.28 | 27 | Gly | 8.34 | 3.94 | N 108.58 | 43.10 | 28 | Phe | 7.83 | 4.50 | 3.15/3.13 | H 7.25; H 7.29; H 7.18 | N 122.56 | 56.50 | 36.59 | C 130.90/129.60 C 130.95/129.53 C 131.21 | 29 | His | 8.05 | 4.44 | 3.32/3.25 | H2 7.31; H1 8.51 | N 119.37 | 54.41 | 25.86 | C 2 119.91 C 1 139.03 | 30 | Glu | 8.15 | 4.23 | 2.15/2.10 | CH3 2.45 | N 121.57 | 54.73 | 24.95 | C 33.54 |
| 31 | Ala | 8.07 | 4.31 | 1.46 | | N 125.19 | 51.07 | 15.87 | | 32 | Ile | 7.76 | 4.06 | 1.83 | H 1.44/1.18; CH3 0.88; CH3 0.82 | N 118.79 | 61.44 | 35.60 | C 1 27.34 C 2 16.84 C 12.08 | 33 | Gly | 7.96 | 3.95/3.87 | N 110.69 | 43.26 | 34 | Asp | 7.97 | 4.74 | 2.89 | N 120.70 | 51.72 | 36.82 | 35 | Val | 7.78 | 4.08 | 2.23 | CH3 1.00 | N 120.34 | 60.78 | 29.97 | C 20.31/24.50 | 36 | Leu | 7.82 | 4.40 | 1.72 | H 1.38; CH3 0.92/0.88 | N 122.65 | 52.58 | 39.65 | C 27.26 C 24.16/22.01 | 37 | Ala | 7.56 | 4.25 | 1.43 | N 128.06 | 50.34 | 16.51 |
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