| | PDB structures * | CSD Average values † |
|---|
| | 1L5Ga | 1TY6b | 1CGDc | CH2···O | H-CH···O |
distances (Å)
| | | | | |
Cα···O | 3.39 | 3.48 | 3.15 | 3.45 (0.19) | 3.44 (0.20) |
Hα1···O | 3.28 | 3.22 | 2.79 | 3.06 (0.25) | 3.94 (0.38) |
Hα2···O | 2.68 | 2.99 | 2.63 | 3.05 (0.23) | 2.81 (0.31) |
angles (°)
| | | | | |
Cα–Hα1···O | 86 | 94 | 100 | 106 (11) | 50 (23) |
Cα–Hα2···O | 121 | 108 | 109 | 107 (11) | 127 (23) |
Hα1···O=C | 136 | 139 | 110 | 118 (26) | 119 (26) |
Hα2···O=C | 150 | 168 | 91 | 115 (27) | 119 (24) |
- * Distances and angles measured on each structural model after standard-geometry Hα building on the central Gly residues. The accuracy of distances and angles in the integrin structural models is probably overestimated, due to the resolution of these structural determinations.
- † Average values for instances of double (CH2···O) and single (H-CH···O) Gly-Cα-H···O hydrogen bonding in the Cambridge Structural Database (July 2003 release). Standard deviations in parentheses. See Methods and Figures 3, 4 and 5 for details of the search. In the single hydrogen bond case, column Hα 1 refers to the atom in hydrogen bonding position (Cα-Hα1···O ≥ 90°) and Hα 2 to the atom in non-bonding position (Cα-Hα2···O < 90°).
- aRGD-αVβ3 crystal structure, PDB accession code 1L5G [8].
- bEFB-αIIbβ3 crystal structure, PDB accession code 1TY6 [12].
- cAverage values from the crystal structure of the collagen-like peptide (Pro-Hyp-Gly)4-Pro-Hyp-Ala-(Pro-Hyp-Gly)5, PDB accession code 1CGD [15].
