3C8B

crystal structure of the catalytic domain of botulinum neurotoxin serotype a with inhibitory peptide rrgi

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 58
  • Norm. En. per Res.: -4.3608
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-53.1075	-62.1264	-137.695	-252.929	58	8	2	5103	4	21	17

Interface residues

• A-B: ALA372A, ARG187A, ARG231A, ARG363A, ARG500B, ARG501B, ASN248A, ASN368A, ASP159A, ASP370A, CYS165A, GLN162A, GLU164A, GLU224A, GLU257A, GLU261A, GLU262A, GLU351A, GLY195A, GLY502B, HIS223A, HIS227A, ILE160A, ILE161A, ILE186A, ILE503B, LEU256A, LEU367A, LYS166A, LYS371A, PHE163A, PHE188A, PHE194A, PHE196A, PHE266A, PHE369A, PHE419A, PHE423A, PRO206A, PRO239A, PRO69A, SER167A, SER189A, SER254A, SER259A, SER71A, THR193A, THR215A, THR220A, THR265A, TYR250A, TYR251A, TYR366A, TYR72A, VAL245A, VAL258A, VAL373A, VAL70A