Table 1 Summary of restraints and statistics of the final 20 out of 200 structures of the BRD4 ET domain in complex with JMJD6 peptide.
From: Structural Mechanism of the Oxygenase JMJD6 Recognition by the Extraterminal (ET) Domain of BRD4
JMJD6 | |
|---|---|
Protein NMR distance and dihedral constraints | |
Distance constraints | |
Total NOE | 2199 |
Intra-residue | 732 |
Inter-residue | 1467 |
Sequential (|i−j| = 1) | 435 |
Medium-range (1 < |i−j| ≤ 5) | 573 |
Long-range (|i−j| > 5) | 459 |
Inter-molecular constraints | 143 |
Hydrogen bonds | 43 |
Total dihedral angle restraints | |
Phi angle | 85 |
Psi angle | 85 |
Ramachandran Map Analysis (%)a | |
Most favored regions | 100.0 |
Additional allowed regions | 0.0 |
Generally allowed regions | 0.0 |
Disallowed regions | 0.0 |
Structure statistics | |
Violations (mean +/− s.d.) | |
Distance constraints (Å) | 0.047 +/− 0.0014 |
Dihedral angle constraints (°) | 0.36 +/− 0.060 |
Max. dihedral angle violation (°) | 0.48 |
Max. distance constraint violation (Å) | 0.050 |
Deviations from idealized geometry | |
Bond lengths (Å) | 0.0051 +/− 0.00010 |
Bond angles (°) | 0.61 +/− 0.013 |
Impropers (°) | 1.5 +/− 0.068 |
Average pairwise r.m.s. Deviation (Å)b | |
Heavy | 0.48 +/− 0.066 |
Backbone | 0.18 +/− 0.034 |
