Table 2.

Atomic contacts between factor VIII C2 domain and BO2C11

C2-domain residueBO2C11 residueFab chainDistance (Å)
Peptide 1    
 S2250 OG D100 OD2 Heavy 2.5  
  P101 N Heavy 3.7 
 L2251 N D100 OD2 Heavy 3.0  
 L2251 CG L32 CD1 Heavy 3.4  
 L2251 CD2 Y27 CD2 Heavy 3.8 
  V2 CG2 Heavy 3.5  
 L2252 CD2 V2 CG2 Heavy 3.7  
 L2252 N D100 OD2 Heavy 2.7 
 T2253 N D100 OD1 Heavy 3.4  
 T2253 CG2 P101 CD Heavy 3.4  
Peptide 2    
 F2196 CE1 S32 OG Light 3.6  
  Y33 CE1 Light 3.5  
 F2196 CE2 D102 OD1 Heavy 3.4  
 T2197 OG1 Y33 OH Light 3.4  
 T2197 O Y33 OH Light 2.7  
 N2198 OD1 D102 O Heavy 3.0  
 N2198 ND2 G93 O Light 3.4 
 N2198 O T94 OG1 Light 3.6  
 M2199 N G93 O Light 3.2  
 M2199 CB G93 O Light 3.1  
 M2199 CG T94 O Light 3.7  
 M2199 SD I59 CD1 Heavy 3.1 
  S50 CB Heavy 3.4  
  H35 CE1 Heavy 3.8 
 F2200 CD1 P33 CB Heavy 3.5  
 F2200 CD1 D52 CB Heavy 3.7  
 F2200 CZ E57 OE2 Heavy 3.4 
  I59 CG2 Heavy 3.6  
Peptide 3    
 R2220 NH1 D102 OD2 Heavy 2.9  
 R2220 NH2 D102 OD1 Heavy 3.0  
Peptide 4    
 R2215 NE E31 O Heavy 3.0  
 R2215 NH1 D52 OD2 Heavy 2.8 
 R2215 NH2 D52 OD1 Heavy 3.0  
  T30 O Heavy 2.9  
Peptide 5    
 Q2222 OE1 Y33 OH Light 3.2  
 Q2222 NE1 S30 OG Light 3.6 
  S32 OG Light 3.2  
 Q2222 O S32 OG Light 3.3  
 V2223 CG1 S30 OG Light 3.6 
Peptide 6    
 H2315 CE1 T57 OG1 Light 3.7 
 H2315 O T57 OG1 Light 3.5  
 Q2316 NE2 Y50 OH Light 3.5  
  Y50 CE1 Light 3.3 
C2-domain residueBO2C11 residueFab chainDistance (Å)
Peptide 1    
 S2250 OG D100 OD2 Heavy 2.5  
  P101 N Heavy 3.7 
 L2251 N D100 OD2 Heavy 3.0  
 L2251 CG L32 CD1 Heavy 3.4  
 L2251 CD2 Y27 CD2 Heavy 3.8 
  V2 CG2 Heavy 3.5  
 L2252 CD2 V2 CG2 Heavy 3.7  
 L2252 N D100 OD2 Heavy 2.7 
 T2253 N D100 OD1 Heavy 3.4  
 T2253 CG2 P101 CD Heavy 3.4  
Peptide 2    
 F2196 CE1 S32 OG Light 3.6  
  Y33 CE1 Light 3.5  
 F2196 CE2 D102 OD1 Heavy 3.4  
 T2197 OG1 Y33 OH Light 3.4  
 T2197 O Y33 OH Light 2.7  
 N2198 OD1 D102 O Heavy 3.0  
 N2198 ND2 G93 O Light 3.4 
 N2198 O T94 OG1 Light 3.6  
 M2199 N G93 O Light 3.2  
 M2199 CB G93 O Light 3.1  
 M2199 CG T94 O Light 3.7  
 M2199 SD I59 CD1 Heavy 3.1 
  S50 CB Heavy 3.4  
  H35 CE1 Heavy 3.8 
 F2200 CD1 P33 CB Heavy 3.5  
 F2200 CD1 D52 CB Heavy 3.7  
 F2200 CZ E57 OE2 Heavy 3.4 
  I59 CG2 Heavy 3.6  
Peptide 3    
 R2220 NH1 D102 OD2 Heavy 2.9  
 R2220 NH2 D102 OD1 Heavy 3.0  
Peptide 4    
 R2215 NE E31 O Heavy 3.0  
 R2215 NH1 D52 OD2 Heavy 2.8 
 R2215 NH2 D52 OD1 Heavy 3.0  
  T30 O Heavy 2.9  
Peptide 5    
 Q2222 OE1 Y33 OH Light 3.2  
 Q2222 NE1 S30 OG Light 3.6 
  S32 OG Light 3.2  
 Q2222 O S32 OG Light 3.3  
 V2223 CG1 S30 OG Light 3.6 
Peptide 6    
 H2315 CE1 T57 OG1 Light 3.7 
 H2315 O T57 OG1 Light 3.5  
 Q2316 NE2 Y50 OH Light 3.5  
  Y50 CE1 Light 3.3 

All atoms in the interface from opposing protein molecules displaying contact distances of less than 3.8 Å (corresponding to a conservative estimate of the upper range of distance for van der Waals interactions) are included. The six separate peptides from the factor VIII C2 domain correspond to those forming the observed epitope for BO2C11 binding, as described in “Results” and “Discussion” and illustrated in Figure 2.

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