2YZ3

crystallographic investigation of inhibition mode of the vim-2 metallo-beta-lactamase from pseudomonas aeruginosa with mercaptocarboxylate inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 61
  • Norm. En. per Res.: -1.9243
• 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	-5.3937	-36.4805	-75.5105	-117.3847	61	2	1	3917	2	16	25

Interface residues

• A-B: ALA123A, ALA144B, ALA157A, ALA158A, ALA192A, ALA194A, ALA197A, ALA197B, ARG120A, ARG121A, ARG205A, ARG205B, ASP143B, ASP162A, ASP193A, ASP195A, ASP195B, GLN207B, GLN208B, GLU124A, GLU126A, GLU151B, GLU198A, GLU198B, GLU204B, GLU212B, GLY142A, GLY142B, GLY156A, HIS209B, ILE203B, ILE206B, LEU122A, LEU196A, LEU196B, LYS230B, PHE153B, PHE95A, PRO117A, PRO155A, PRO200B, PRO211B, SER118A, SER139A, SER140A, SER140B, SER141A, SER141B, SER160A, SER202A, SER202B, THR161A, THR201A, THR201B, THR233B, TRP199A, TRP199B, TYR154A, TYR210B, VAL125A, VAL191A