Table 1 NMR structural statistics of apo p63-DBD.

From: Solution structure and binding specificity of the p63 DNA binding domain

 

SA

<SA>r

RMSD from distance restraints (Å) 2

 all (554)

0.029 ± 0.003

0.027

 intra-residue (10)

0.023 ± 0.008

0.025

 inter-residue sequential (42)

0.021 ± 0.002

0.023

 medium range (89)

0.033 ± 0.001

0.033

 long range (335)

0.032 ± 0.001

0.029

 hbond (78)

0.012 ± 0.001

0.010

RMSD from dihedral restraints (652)

0.12 ± 0.01

0.11

RMSD J-coupling restraints (Hz) (48)

0.82 ± 0.02

0.78

H-bond restraints average (Å/deg) (78)

2.12 ± 0.2/16.0 ± 7.2

2.13 ± 0.1/13.3 ± 6.6

H-bond restraints min-max (Å/deg)

1.42–2.58/5.3–38.2

1.83–2.56/1.5–35.7

Deviations from ideal covalent geometry

 Bonds (Å × 103 )

4.88 ± 0.18

7.34

 Angles (deg)

0.73 ± 0.03

0.73

 Impropers (deg)

3.58 ± 1.08

1.53

Ramachandran Map regions (%) 3

88.9/9.6/0.7/0.8

88.4/10.6/0.0/1.0

Atomic RMSD (Å)4 in Structured areas6

SA vs. <SA>

 

SA vs. <SA> r

 
 

Backbone

All

Backbone

All

 

0.35 ± 0.06

0.79 ± 0.09

0.42 ± 0.09

0.90 ± 0.18

  1. 1SA, 20 final structures; <SA>, mean structure; <SA>r, the structure obtained by regularising the mean structure under experimental restraints.
  2. 2Numbers in brackets indicate the number of restraints of each type.
  3. 3Determined using the program PROCHECK 3.5.1.
  4. 4Based on heavy atoms superimpositions.
  5. 5Structured areas: 164–251, 263–292 and 300–362.
  6. 6RMSD for superimposition over ordered residues.