3GR2

ampc beta-lactamase in complex with fragment-based inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 101
  • Norm. En. per Res.: -1.2494
• 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	11.062	-137.255	-126.193	101	7	0	7252	0	18	17

Interface residues

• A-B: ALA300A, ALA300B, ALA307A, ALA307B, ALA310A, ALA310B, ALA79A, ALA79B, ARG258A, ARG258B, ARG309A, ARG309B, ARG80A, ARG80B, ASN244A, ASN244B, ASP242A, ASP242B, ASP275A, ASP275B, ASP87A, ASP87B, GLN249A, GLN249B, GLN250A, GLN250B, GLN253A, GLN253B, GLN261A, GLN261B, GLU245A, GLU245B, GLY103A, GLY251A, GLY251B, GLY75A, GLY75B, GLY81A, GLY81B, HIS108A, HIS108B, ILE243A, ILE243B, ILE301A, ILE301B, ILE78A, ILE78B, ILE83A, ILE83B, LEU106A, LEU106B, LEU107A, LEU107B, LEU241A, LEU241B, LEU254A, LEU254B, LEU269A, LEU269B, LEU85A, LEU85B, LYS239A, LYS239B, LYS246A, LYS246B, LYS299A, LYS299B, LYS84A, LYS84B, PRO240A, PRO240B, PRO303A, PRO303B, PRO304A, PRO304B, PRO306A, PRO306B, PRO88A, PRO88B, SER257A, SER257B, SER86A, SER86B, THR105A, THR105B, THR111A, THR111B, THR247A, THR247B, THR302A, THR302B, THR305A, THR305B, TRP260A, TRP260B, TYR259A, TYR259B, TYR266A, TYR266B, VAL308A, VAL308B