Interhelical angles observed in three-dimensional structures of S100A1 and S100B proteins calculated with supporting RDC long range distance constraints
| I–I′a | IV–IV′ | I–II | I–III | I–IV | II–III | II–IV | III–IV | |
|---|---|---|---|---|---|---|---|---|
| Apo-S100A1b | −153 ± 1 | 160 ± 1 | 110 ± 2 | −143 ± 1 | 117 ± 1 | 123 ± 2 | −54 ± 1 | −154 ± 1 |
| Apo-S100A1-NOc | −152 ± 1 | 166 ± 2 | 116 ± 1 | −137 ± 2 | 108 ± 1 | 140 ± 1 | −46 ± 2 | −150 ± 1 |
| Apo-S100Bd | −153 ± 1 | 155 ± 1 | 133 ± 1 | −46 ± 1 | 120 ± 1 | 149 ± 1 | −40 ± 1 | −166 ± 1 |
| Holo-S100A1e | −157 ± 3 | 152 ± 3 | 132 ± 1 | −102 ± 2 | 131 ± 2 | 125 ± 2 | −29 ± 1 | 121 ± 2 |
| Holo-S100Bf | −144 ± 3 | 144 ± 3 | 137 ± 5 | −118 ± 5 | 128 ± 4 | 104 ± 3 | −35 ± 4 | 106 ± 4 |
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↵a Calculated with the Chimera program (40).
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↵b Apo-S100A1 structure solved in this work with 184 (1DNH) dipolar couplings.
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↵c Apo-S100A1-NO structure solved in this work with 124 (1DNH) dipolar couplings.
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↵d Protein Data Bank accession code 1B4C solved with 516 (1DNH, 1DCαHα, 1DC'N, 1DCαC', 2DC'HN) dipolar couplings (77).
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↵e Protein Data Bank accession code 1ZFS solved with 362 (1DNH, 1DCαHα, 2DCαC') dipolar couplings (66).
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↵f Protein Data Bank accession code 2K7O solved with 336 (1DNH, 1DCαHα) dipolar couplings (78).
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