2BNG

structure of an m.tuberculosis leh-like epoxide hydrolase

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 82
  • Norm. En. per Res.: -4.9957
• Hub Node: A(2)

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	-12.5045	-1.5336	-39.5783	-53.6165	38	11	0	2157	8	19	23
A-C	-6.4301	38.7127	80.5831	112.8657	33	25	0	2665	0	12	13
B-C	-62.9917	-97.4938	-249.162	-409.6476	82	20	5	10551	8	34	34

Interface residues

• A-B: ALA17B, ALA38A, ALA39A, ALA61A, ALA82B, ALA85B, ALA86B, ARG116A, ARG58A, ARG59A, ARG65A, ARG66A, ASP113B, ASP114B, ASP34A, ASP37A, ASP42A, ASP43A, ASP83B, GLU111B, GLU13B, GLU16B, GLY115B, GLY41A, GLY56A, GLY57A, GLY81B, GLY84B, LEU40A, LEU63A, LEU88B, PRO12B, THR14B, THR15B, THR60A, THR62A, VAL112B, VAL87B
• A-C: ALA17C, ALA20C, ALA23C, ALA82C, ARG19C, ARG59A, ARG65A, ARG66A, ARG70A, ARG79C, GLN68A, GLU10C, GLU16C, GLU22C, GLU31A, GLY69A, GLY81C, HIS78C, ILE18C, ILE77C, ILE80C, LEU63A, LEU64A, LEU88C, LYS76C, PHE33A, PRO12C, THR11C, THR14C, THR15C, THR62A, VAL71A, VAL87C
• B-C: ALA82B, ALA82C, ALA85B, ALA85C, ALA86B, ALA86C, ARG121B, ARG121C, ARG79B, ARG79C, ARG91B, ARG91C, ASP122B, ASP122C, ASP125B, ASP125C, ASP128B, ASP128C, ASP83B, ASP83C, CYS107B, CYS107C, GLU111B, GLU111C, GLU90B, GLU90C, GLY108B, GLY108C, GLY50B, GLY50C, GLY81B, GLY81C, GLY84B, GLY84C, HIS78B, HIS78C, ILE18B, ILE18C, ILE77B, ILE77C, ILE80B, ILE80C, LEU119B, LEU119C, LEU88B, LEU88C, LYS131B, LYS131C, PHE104B, PHE104C, PHE110B, PHE110C, PHE124B, PHE124C, PHE130B, PHE130C, PHE51B, PHE51C, THR14B, THR14C, THR89B, THR89C, THR92B, THR92C, TRP105B, TRP105C, TYR123B, TYR123C, TYR127B, TYR127C, VAL106B, VAL106C, VAL109B, VAL109C, VAL112B, VAL112C, VAL126B, VAL126C, VAL49B, VAL49C, VAL87B, VAL87C