Table 1. Structural statistics for the family of 20 structures of mLin-7/mLin-2 and Patj/Pals1 L27 tetramer complexes
|
Restraint statistics |
mLin-7/mLin-2 |
Patj/Pals1 |
|
Distance restraints |
||
|
Intraresidue (i - j = 0) |
2,036 |
2,330 |
|
Sequential (|i - j| = 1) |
1,034 |
1,204 |
|
Medium range (2 < |i - j| < 4) |
888 |
1,172 |
|
Long range (|i - j| > 5) |
746 |
878 |
|
Interheterodimer |
174 |
108 |
|
Hydrogen bonds |
304 |
368 |
|
Total |
5,182 |
6,060 |
|
Dihedral angle restraints |
||
|
Φ |
180 |
178 |
|
Ψ |
180 |
178 |
|
Total |
360 |
356 |
|
Structure statistics |
||
|
Mean rms deviations from the experimental restraints |
||
|
Distance, Å |
0.018 ± 0.000 |
0.016 ± 0.000 |
|
Dihedral angle, ˚ |
0.356 ± 0.023 |
0.248 ± 0.018 |
|
Mean rms deviations from idealized covalent geometry |
||
|
Bond, Å |
0.002 ± 0.000 |
0.002 ± 0.000 |
|
Angle, ˚ |
0.364 ± 0.003 |
0.367 ± 0.004 |
|
Improper, ˚ |
0.273 ± 0.005 |
0.238 ± 0.006 |
|
Mean energies, kcal· mol-1 |
||
|
ENOE |
83.51 ± 2.82 |
74.30 ± 4.58 |
|
Ecdih |
2.79 ± 0.36 |
1.34 ± 0.18 |
|
EL-J |
-755.47 ± 13.62 |
-855.13 ± 12.91 |
|
Ramachandran plot, % |
||
|
Most favorable regions |
90.0 |
88.9 |
|
Additional allowed regions |
8.3 |
8.0 |
|
Generously allowed regions |
1.5 |
2.0 |
|
Coordinate precision |
||
|
Atomic rms differences, Å |
||
|
Backbone atoms (N, Ca , and C’) |
0.45* |
0.48† |
|
Heavy atoms |
0.87* |
0.79† |
None of the structures exhibits distance violations >0.3 Å or dihedral angle violations >4˚. Statistics of the Ramachandran plot were derived from the program PROCHECK (www.biochem.ucl.ac.uk/~roman/procheck_nmr).
*Residues 10-61 in mLin-7 and 405-451 in mLin-2.
†
Residues 9-60 in Patj and 124-173 in Pals1.