3QHY

structural, thermodynamic and kinetic analysis of the picomolar binding affinity interaction of the beta-lactamase inhibitor protein- ii (blip-ii) with class a beta-lactamases

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 114
  • Norm. En. per Res.: -2.4443
• 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	-17.4119	2.3401	-263.582	-278.6537	114	10	2	10643	6	38	35

Interface residues

• A-B: ALA125A, ALA151B, ALA215A, ALA237A, ALA305B, ALA46B, ALA56B, ALA69A, ALA89B, ARG128A, ARG244A, ARG247B, ARG286B, ASN112B, ASN132A, ASN136A, ASN170A, ASN207B, ASN214A, ASN276A, ASN304B, ASN50B, ASN51B, ASN90B, ASN92B, ASP101A, ASP104A, ASP114A, ASP131A, ASP131B, ASP167B, ASP168B, ASP170B, ASP206B, ASP218A, ASP275A, ASP52B, GLN133B, GLN172B, GLN211B, GLN250B, GLN94B, GLU100A, GLU110A, GLU130B, GLU166A, GLU168A, GLU268B, GLU55B, GLY205B, GLY213A, GLY217A, GLY236A, GLY238A, GLY271A, GLY48B, GLY49B, GLY54B, GLY88B, HIS112A, ILE229B, LEU102A, LEU220A, LEU91B, LYS111A, LYS219A, LYS234A, LYS270A, LYS73A, LYS99A, PHE209B, PHE230B, PHE74B, PRO107A, PRO289B, PRO303B, SER106A, SER130A, SER169B, SER235A, SER240A, SER284B, SER285B, SER70A, THR109A, THR115A, THR133A, THR167A, THR192B, THR216A, THR243A, THR273A, THR287B, THR57B, THR98A, TRP152B, TRP269B, TRP47B, TRP53B, TRP87B, TYR105A, TYR113B, TYR129A, TYR191B, TYR208B, TYR248B, TYR270B, TYR274A, TYR73B, TYR97A, VAL103A, VAL108A, VAL113A, VAL190B