Supplementary material for Lombardi et al. (2000) Proc. Natl. Acad. Sci. USA 97 (22), 11922–11927.
Table 3.
Torsion angles f, y (°) of rubredoxin from crystal structure,* and of Fe(II)–METP complex derived from energy minimizationFe(II)–METP | [6-16]-Rubredoxin | [39-49]-Rubredoxin | |||
Residue | f, y | Residue | f, y | Residue | f, y |
Cys1 | –66, 127 | Cys6 | –74, 120 | Cys39 | –57, 128 |
Thr2 | –55, –43 | Thr7 | –79, 0 | Pro40 | –74, –18 |
Lys3 | –67, –22 | Val8 | –90, –58 | Val41 | –87, –39 |
Cys4 | –150, –25 | Cys9 | –118, –9 | Cys42 | –127, –12 |
Gly5 | 83, 78 | Gly10 | 90, –2 | Gly43 | 91, –2 |
Ala6 | –134, 143 | Tyr11 | –61, 143 | Ala44 | –68, 153 |
Asn7 | –85, 170 | Glu12 | –112, 123 | Pro45 | –75, 161 |
Aib8 | –47, –42 | Tyr13 | –80, 125 | Lys46 | –62, –23 |
Ser9 | –68,–23 | Asp14 | –118, 109 | Ser47 | –63, –29 |
Glu10 | –73, –16 | Pro15 | –57, –30 | Glu48 | –63, –15 |
Ile11 | –91, 105 | Ala16 | –65, –26 | Phe49 | –104, 16 |
*Dauter, Z., Sieker, L. C. & Wilson, K. S. (1992) Acta Crystallogr. B 48, 42–59.