2IMA

clostridium botulinum neurotoxin serotype a light chain inhibited by 2,4-dichlorocinnamic hydroxamate

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 158
  • Norm. En. per Res.: -2.4348
• 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	-31.1406	12.9451	-366.504	-384.6995	158	16	2	15085	2	47	70

Interface residues

• A-B: ALA308A, ALA308B, ARG-3A, ARG-3B, ARG105A, ARG105B, ARG113A, ARG113B, ASN15A, ASN15B, ASN315A, ASN315B, ASN40A, ASN40B, ASN5A, ASN5B, ASN9A, ASN9B, ASP102A, ASP102B, ASP12A, ASP12B, ASP18A, ASP18B, GLN139A, GLN2A, GLN2B, GLN311A, GLN311B, GLN7A, GLN7B, GLU319A, GLU319B, GLU325A, GLU325B, GLU96A, GLU96B, GLY-2A, GLY-2B, GLY-7A, GLY-7B, GLY104A, GLY104B, GLY114A, GLY114B, GLY16A, GLY16B, HIS0A, HIS0B, HIS39A, HIS39B, ILE111A, ILE111B, ILE115A, ILE115B, ILE19A, ILE19B, ILE348A, ILE348B, ILE38A, ILE38B, LEU-6A, LEU-6B, LEU103A, LEU103B, LEU107A, LEU107B, LEU108A, LEU108B, LEU322A, LEU322B, LEU323A, LEU323B, LEU341A, LEU341B, LEU345A, LEU345B, LYS11A, LYS11B, LYS318A, LYS318B, LYS320A, LYS320B, LYS337A, LYS337B, LYS340A, LYS340B, LYS381A, LYS381B, LYS41B, LYS6A, LYS6B, LYS89A, MET106A, MET106B, MET1A, MET1B, MET313A, MET313B, MET344A, MET344B, PHE317A, PHE317B, PHE331B, PHE357A, PHE357B, PHE3A, PHE3B, PHE8A, PHE8B, PRO-4A, PRO-4B, PRO13A, PRO13B, PRO140A, PRO140B, SER-1A, SER-1B, SER-9A, SER-9B, SER100A, SER100B, SER110A, SER110B, SER309A, SER309B, THR101A, THR101B, THR109A, THR109B, THR307B, THR327B, TYR233A, TYR233B, TYR312A, TYR312B, TYR321A, TYR321B, TYR342A, TYR342B, TYR349A, TYR349B, TYR387A, TYR387B, TYR99A, TYR99B, VAL-5A, VAL-5B, VAL112A, VAL112B, VAL14A, VAL14B, VAL17A, VAL17B, VAL316A, VAL316B, VAL4A, VAL4B