3S2Z

crystal structure of the lactobacillus johnsonii cinnamoyl esterase lj0536 s106a mutant in complex with caffeic acid

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 136
  • Norm. En. per Res.: -3.0307
• 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	-43.6721	-78.2074	-290.293	-412.1725	136	10	1	11092	12	35	47

Interface residues

• A-B: ALA116A, ALA116B, ALA173A, ALA173B, ALA183A, ALA183B, ALA84A, ALA84B, ALA86A, ALA86B, ARG157A, ARG157B, ARG171A, ARG171B, ARG8A, ARG8B, ASN63A, ASN63B, ASN74A, ASN74B, ASN79A, ASN79B, ASN85A, ASN85B, ASN89A, ASN89B, ASP121A, ASP121B, ASP152A, ASP152B, ASP156A, ASP156B, ASP69A, ASP69B, ASP83A, ASP83B, ASP9A, ASP9B, GLN12A, GLN12B, GLN174A, GLN174B, GLN175A, GLN175B, GLN184A, GLN184B, GLU180A, GLU180B, GLU73A, GLU73B, GLU7A, GLU7B, GLU80A, GLU80B, GLU82A, GLU82B, GLY10A, GLY10B, GLY117A, GLY117B, GLY166A, GLY166B, GLY167A, GLY167B, GLY70A, GLY70B, HIS153A, HIS153B, ILE123A, ILE123B, ILE154A, ILE154B, ILE172A, ILE172B, ILE178B, ILE81A, ILE81B, LEU115A, LEU115B, LEU118A, LEU118B, LEU11A, LEU11B, LEU122A, LEU122B, LEU140A, LEU140B, LEU170A, LEU170B, LEU176A, LEU176B, LEU78A, LEU78B, LEU88A, LEU88B, LYS124B, LYS136A, LYS136B, LYS187A, LYS187B, LYS71A, LYS71B, LYS92A, LYS92B, MET114A, MET114B, MET75A, MET75B, PHE168A, PHE168B, PHE185A, PHE185B, PRO120A, PRO120B, PRO151A, PRO151B, PRO155A, PRO155B, PRO177A, PRO177B, SER182A, SER182B, THR76A, THR76B, THR93A, THR93B, TYR119A, TYR119B, TYR169A, TYR169B, TYR179A, TYR179B, VAL181A, VAL181B, VAL77A, VAL77B