3F8F

crystal structure of multidrug binding transcriptional regulator lmrr complexed with daunomycin

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 139
  • Norm. En. per Res.: -3.376
• 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	-21.6143	-77.398	-370.25	-469.2623	139	13	21	15575	6	40	39

Interface residues

• A-B: ALA108A, ALA108B, ALA11A, ALA11B, ALA2A, ALA38A, ALA38B, ALA92A, ALA92B, ARG10A, ARG10B, ARG56A, ARG56B, ARG90B, ARG98A, ARG98B, ASN105A, ASN105B, ASN109A, ASN109B, ASN14A, ASN14B, ASN19A, ASN19B, ASN26A, ASN26B, ASN40A, ASN40B, ASN88A, ASN88B, ASP100A, ASP100B, ASP60A, ASP60B, GLN12A, GLN12B, GLN23A, GLN23B, GLN34A, GLN34B, GLU104A, GLU104B, GLU107A, GLU107B, GLU113A, GLU113B, GLU37A, GLU37B, GLU3A, GLU42A, GLU42B, GLU44B, GLU58B, GLU7A, GLU7B, GLU83B, GLU87B, GLU94A, GLU94B, GLY24A, GLY24B, GLY30A, GLY41A, GLY41B, GLY61B, GLY85B, HIS86B, ILE102A, ILE102B, ILE103A, ILE103B, ILE16A, ILE16B, ILE31A, ILE31B, ILE32A, ILE4A, ILE62A, ILE62B, ILE84B, LEU106A, LEU106B, LEU17A, LEU17B, LEU18A, LEU18B, LEU21A, LEU21B, LEU45A, LEU45B, LEU57B, LEU91A, LEU91B, LEU9A, LEU9B, LYS101A, LYS101B, LYS110A, LYS110B, LYS111A, LYS22A, LYS22B, LYS33A, LYS33B, LYS36A, LYS36B, LYS59B, LYS6A, LYS6B, MET1A, MET43A, MET43B, MET89A, MET89B, MET8A, MET8B, PHE93A, PHE93B, PRO5A, PRO5B, SER39A, SER39B, SER95A, SER95B, SER97A, SER97B, THR13A, THR13B, THR82B, TRP96A, TRP96B, VAL15A, VAL15B, VAL20A, VAL20B, VAL35A, VAL35B, VAL99A, VAL99B