3CSD

actinorhodin polyketide ketoreductase mutant p94l bound to nadph and the inhibitor emodin

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: B-A
  • Int. Res.: 138
  • Norm. En. per Res.: -4.8063
• 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	-85.5598	-118.1178	-459.589	-663.2666	138	22	26	19013	8	26	38

Interface residues

• B-A: ALA100A, ALA100B, ALA103A, ALA103B, ALA128A, ALA128B, ALA154A, ALA154B, ALA155A, ALA155B, ALA159A, ALA159B, ALA170A, ALA170B, ALA176A, ALA176B, ALA249A, ALA249B, ALA98A, ALA98B, ARG120A, ARG120B, ARG65A, ARG65B, ASN114A, ASN114B, ASP104A, ASP104B, GLN124A, GLN124B, GLN149A, GLN149B, GLU101A, GLU101B, GLU105A, GLU105B, GLU112A, GLU112B, GLU174A, GLU174B, GLU71A, GLY117A, GLY117B, GLY146A, GLY146B, GLY147A, GLY147B, GLY150A, GLY150B, GLY163A, GLY163B, GLY166A, GLY166B, GLY172A, GLY172B, GLY97A, GLY97B, HIS153A, HIS153B, HIS162A, HIS162B, ILE139A, ILE70A, ILE70B, LEU102A, LEU102B, LEU106A, LEU106B, LEU108A, LEU108B, LEU115A, LEU115B, LEU126A, LEU126B, LEU132A, LEU132B, LEU171A, LEU171B, LEU173A, LEU173B, LEU175A, LEU175B, LYS123A, LYS123B, LYS127A, LYS127B, LYS148A, LYS148B, LYS161A, LYS161B, LYS169A, LYS169B, MET131A, PHE119A, PHE119B, PHE167A, PHE167B, PRO156A, PRO156B, SER158A, SER158B, SER160A, SER160B, THR116A, THR116B, THR122A, THR122B, THR145A, THR145B, THR168A, THR168B, THR99A, THR99B, TRP107A, TRP107B, TYR157A, TYR157B, TYR261A, TYR261B, VAL110B, VAL111A, VAL111B, VAL118A, VAL118B, VAL125A, VAL125B, VAL151A, VAL151B, VAL152A, VAL152B, VAL164A, VAL164B, VAL165A, VAL165B, VAL182A, VAL182B, VAL67A, VAL67B