3BQZ

crystal structure of the complex of malachite green bound to qacr(e90q), a mutant of a multidrug binding transcriptional repressor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: B-A
  • Int. Res.: 147
  • Norm. En. per Res.: -2.862
• Hub Node: B(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
B-A	-10.1642	39.9658	-450.51	-420.7084	147	8	20	18224	0	28	26

Interface residues

• B-A: ALA147A, ALA147B, ALA152A, ALA152B, ALA153A, ALA153B, ALA155A, ALA155B, ALA22A, ALA22B, ALA98A, ALA98B, ARG171A, ARG171B, ASN110A, ASN113A, ASN113B, ASN117A, ASN117B, ASN121B, ASN143A, ASN143B, ASN146A, ASN146B, ASN154A, ASN154B, ASN157A, ASN157B, ASN176A, ASN176B, ASN184A, ASN184B, ASN18A, ASN18B, ASN21A, ASN21B, ASN97A, ASN97B, ASP144A, ASP144B, GLN166A, GLN166B, GLN180A, GLN180B, GLN90A, GLN96A, GLN96B, GLU101A, GLU101B, GLU105A, GLU105B, GLU114A, GLU120A, GLU120B, GLU165A, GLU165B, GLU170A, GLU170B, GLY158A, GLY158B, GLY185A, GLY185B, GLY19A, GLY19B, HIS164A, HIS164B, ILE100A, ILE100B, ILE124A, ILE124B, ILE142A, ILE142B, ILE151A, ILE151B, ILE159A, ILE159B, ILE16B, ILE181A, ILE181B, ILE99A, ILE99B, LEU119B, LEU14B, LEU174A, LEU174B, LEU183A, LEU183B, LEU186A, LEU186B, LEU95B, LYS108A, LYS150A, LYS150B, LYS173A, LYS173B, LYS177A, LYS177B, LYS17B, MET116A, MET116B, MET175A, MET175B, PHE102A, PHE102B, PHE131A, PHE131B, PHE15B, PHE162A, PHE162B, PHE178A, PHE178B, PHE182A, PHE182B, PHE79A, PHE79B, PRO94B, SER141A, SER141B, SER149A, SER149B, SER179A, SER179B, SER187A, SER187B, THR104A, THR104B, THR109A, THR161A, THR161B, THR163A, THR163B, THR23B, TYR103A, TYR103B, TYR106A, TYR107A, TYR123B, TYR20A, TYR20B, TYR92B, TYR93B, VAL148A, VAL148B, VAL156A, VAL156B, VAL160A, VAL160B