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Table 1 Geometry of H-bonds in the GDF-5 R57A:BMPR-IAEC interface

From: GDF-5 can act as a context-dependent BMP-2 antagonist

GDF-5 R57A

BMPR-IAEC

Distance Å

Angle N–O–Ca

H-bondb

R18 (NE)

G42 (O)

3.19 (−)

162 (−)

SC-MC

W33 (NE1)

D89 (O)

2.94 (−)

133 (−)

SC-MC

L56 (N)

Q86 (OE1)

2.88 (2.81)

140 (143)

MC-SC

L56 (O)

Q86 (NE2)

3.12 (3.19)

137 (140)

MC-SC

S58 (N)

C77 (O)

2.74 (2.86)

129 (130)

MC-MC

S58 (OG)

T55 (OG1)

2.93 (2.54)

99 (121)

SC-SC

E61 (OE2)

K79 (NZ)

3.26 (−)

125 (−)

SC-SC

M31 (O)

S90 (OG)

2.55 (−)

136 (−)

MC-SC

S74 (O)

Q94 (N)

2.83 (3.03)

149 (142)

MC-MC

S74 (OG)

R97 (NH2)

- (2.87)

- (132)

SC-SC

K107 (NZ)

D84 (OD2)

3.01 (−)

117 (−)

SC-SC

Y109 (OH)

D84 (OD2)

2.61 (2.62)

132 (139)

SC-SC

Mean value

 

2.94 (2.84)

131/139 (135/136)

 

S.D.

 

0.21 (0.22)

10 (13)

 
  1. A total of 18 intermolecular H-bonds were found in the two interfaces between the GDF-5 dimer and the two BMPR-IA receptors. These non-covalent interactions were formed between 12 atom pairs resulting in an uneven distribution of the 18 H-bonds. The numbers in parentheses are the distances between donor and acceptor atoms and N–O–C angles in the second interface, related by non-crystallographic symmetry
  2. aN, O, C are the donor-acceptor atoms; from general statistics20 this angle is 149 ° ±15 ° for MC–MC hydrogen bonds and 129 ° ±18 ° for SC–MC and SC–SC H-bonds
  3. bMC (main chain) and SC (side chain) donor/acceptor atoms