1ZKW

crystal structure of arg347ala mutant of botulinum neurotoxin e catalytic domain

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 139
  • Norm. En. per Res.: -2.2304
• 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	-18.6056	-37.8245	-253.594	-310.0241	139	11	7	11958	2	40	27

Interface residues

• A-B: ALA130A, ALA130B, ALA312A, ALA312B, ARG15A, ARG15B, ASN110A, ASN110B, ASN121A, ASN137A, ASN137B, ASN13A, ASN13B, ASN292A, ASN292B, ASN296A, ASN296B, ASN319A, ASN319B, ASN33A, ASN33B, ASN37A, ASN37B, ASN4A, ASN4B, ASP10A, ASP10B, ASP120A, ASP141A, ASP141B, ASP14A, ASP14B, ASP300A, ASP300B, ASP309A, ASP309B, ASP311A, ASP311B, GLN122A, GLN140A, GLN140B, GLN289A, GLN289B, GLU303A, GLU303B, GLY314A, GLY314B, HIS124A, HIS124B, ILE125A, ILE125B, ILE133A, ILE133B, ILE142A, ILE142B, ILE17A, ILE17B, ILE315A, ILE315B, ILE34A, ILE34B, ILE3A, ILE3B, LEU113A, LEU113B, LEU143A, LEU143B, LEU144A, LEU144B, LEU18B, LEU285A, LEU285B, LEU294A, LEU294B, LEU295A, LEU295B, LEU308A, LYS108B, LYS284A, LYS287A, LYS287B, LYS299A, LYS299B, LYS2A, LYS2B, LYS310A, LYS310B, LYS322A, LYS322B, LYS36A, LYS36B, MET35A, MET35B, PHE123A, PHE123B, PHE135A, PHE135B, PHE302A, PHE302B, PHE32A, PHE32B, PHE6A, PHE6B, PRO11A, PRO11B, PRO145A, PRO293A, PRO293B, PRO297A, PRO297B, SER129A, SER129B, SER136B, SER139B, SER283A, SER286A, SER286B, SER291A, SER291B, SER313A, SER313B, SER317A, SER5A, SER5B, THR16A, THR16B, TRP39A, TRP39B, TYR298A, TYR298B, TYR316A, TYR316B, VAL131A, VAL288A, VAL288B, VAL290A, VAL290B, VAL301A, VAL301B