3Q6X

crystal structure of ndm-1 in complex with hydrolyzed ampicillin

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 106
  • Norm. En. per Res.: -1.8226
• 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	-28.9712	12.8169	-177.037	-193.1913	106	5	8	7721	2	26	23

Interface residues

• A-B: ALA121A, ALA121B, ALA141A, ALA141B, ALA143A, ALA143B, ALA149A, ALA149B, ALA156A, ALA156B, ALA157A, ALA157B, ALA164A, ALA164B, ALA165A, ALA165B, ALA224A, ALA224B, ALA230A, ALA230B, ALA231A, ALA231B, ALA233A, ALA235A, ALA235B, ALA239B, ARG234A, ARG270A, ARG270B, ASN142A, ASN142B, ASN146A, ASN146B, ASN166A, ASN166B, ASN193A, ASN193B, ASP192A, ASP192B, ASP223A, ASP223B, ASP225A, ASP225B, GLN147A, GLN147B, GLN151A, GLN151B, GLN158B, GLU152A, GLU152B, GLU170A, GLU170B, GLU227A, GLU227B, GLY153A, GLY153B, GLY167A, GLY167B, GLY186A, GLY186B, GLY222A, GLY222B, HIS122A, HIS122B, HIS159A, HIS159B, HIS228A, HIS228B, LEU144A, LEU144B, LEU148A, LEU148B, LEU161A, LEU161B, PHE163A, PHE163B, PHE183A, PHE183B, PRO150A, PRO150B, PRO185A, PRO185B, PRO187A, PRO187B, SER145A, SER145B, SER160A, SER160B, SER191A, SER191B, SER232A, SER232B, THR162A, THR162B, THR173A, THR173B, THR190A, THR190B, THR226A, THR226B, TRP168A, TRP168B, TYR184A, TYR184B, TYR229A, TYR229B