1VGN

structure-based design of the irreversible inhibitors to metallo--lactamase (imp-1)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 80
  • Norm. En. per Res.: -1.1198
• 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	0.0	-0.913	-88.6676	-89.5806	80	1	3	5025	0	30	28

Interface residues

• A-B: ALA203A, ASN167B, ASN26B, ASP13A, ASP202A, ASP6B, GLN212A, GLN212B, GLU10A, GLU10B, GLU14A, GLU199A, GLU199B, GLU211A, GLU211B, GLU219B, GLU24B, GLY164A, GLY164B, GLY166A, GLY166B, GLY201A, GLY201B, GLY27A, GLY27B, GLY29A, GLY29B, HIS197A, HIS197B, HIS34A, HIS34B, LEU12A, LEU165A, LEU165B, LEU168B, LEU192A, LEU205A, LEU205B, LEU206A, LEU208A, LEU208B, LEU4A, LEU4B, LYS11A, LYS161B, LYS191A, LYS207A, LYS215A, LYS215B, LYS8A, LYS8B, PHE22A, PHE22B, PRO162A, PRO162B, PRO195B, PRO32A, PRO32B, PRO5A, PRO5B, SER198A, SER198B, SER204A, THR20A, THR20B, TRP28A, TRP28B, TYR163A, TYR163B, TYR17A, VAL18A, VAL193A, VAL194A, VAL200A, VAL200B, VAL25B, VAL30A, VAL30B, VAL31A, VAL31B