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Table 1 Structural statistics for the selected 20 structures of Brd2 BD2a

From: Solution structure of the second bromodomain of Brd2 and its specific interaction with acetylated histone tails

Number of NMR restraints used in the structure calculation

   Intra-residue

563

   Sequential (|i-j| = 1)

573

   Medium-range (|i-j|<5)

475

   Long-range (|i-j|≥5)

355

   Total NOE restraints

1966

   Hydrogen bonds

49

   Dihedral angle restraints

146

Lennard-Jones potential energy (kcal mol-1)

-360.86 ± 15.49

RMSD from idealized covalent geometry

 

   Bonds (Å)

0.0010 ± 0.00002

   Angles (deg)

0.2878 ± 0.0016

   Impropers (deg)

0.0972 ± 0.0038

RMSD from experimental restraints

 

   Distance (Å)

0.0037 ± 0.0005

   cdih (deg)

0.0436 ± 0.0214

Coordinate RMSD from mean (Ã…) residues 302 to 406

 

   All backbone atoms

0.69

   All heavy atoms

1.18

Secondary structure elementsb

 

   All backbone atoms

0.58

   All heavy atoms

1.07

Ramachandran plot (% residues)

 

   Residues in most favored regions

87.0

   Residues in additional allowed regions

10.3

   Residues in generously allowed regions

2.5

   Residues in disallowed regions

0.2

  1. a None of the structure exhibits distance violations greater than 0.2 Å or dihedral angle violations greater than 2°.
  2. b Residues Q302-S315, A319-Y326, H337-I342, L349-N358, A364-Y381, D387-K405.