1SUX

crystallographic analysis of the complex between triosephosphate isomerase from trypanosoma cruzi and 3-(2- benzothiazolylthio)-1-propanesulfonic acid

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 138
  • Norm. En. per Res.: -4.7884
• 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	-99.7664	-58.6598	-502.368	-660.7941	138	18	18	18365	4	20	16

Interface residues

• A-B: ALA43A, ALA43B, ALA65A, ALA65B, ALA68A, ALA68B, ALA74A, ALA74B, ARG100A, ARG100B, ARG71A, ARG71B, ARG99A, ARG99B, ASN12A, ASN12B, ASN16A, ASN16B, ASN67A, ASN67B, ASP86A, ASP86B, CYS127A, CYS127B, CYS15A, CYS15B, GLN66A, GLN66B, GLN82A, GLN82B, GLU105A, GLU105B, GLU168A, GLU168B, GLU19A, GLU19B, GLU78A, GLU78B, GLU98A, GLU98B, GLY104A, GLY104B, GLY174A, GLY17A, GLY17B, GLY235A, GLY235B, GLY236A, GLY236B, GLY73A, GLY73B, GLY77A, GLY77B, GLY88A, GLY88B, GLY95A, GLY95B, HIS48A, HIS48B, HIS96A, HIS96B, ILE109A, ILE109B, ILE173A, ILE173B, ILE49A, ILE49B, ILE63A, ILE63B, ILE69A, ILE69B, ILE83A, ILE83B, ILE89A, ILE89B, LEU21A, LEU21B, LEU22A, LEU22B, LEU233A, LEU233B, LEU239A, LEU239B, LEU47A, LEU47B, LEU81A, LEU81B, LEU84A, LEU84B, LEU94A, LEU94B, LYS113A, LYS113B, LYS14A, LYS14B, LYS53A, LYS53B, LYS85A, LYS85B, MET51A, MET51B, PHE46A, PHE46B, PHE75A, PHE75B, PRO44A, PRO44B, PRO50A, PRO50B, SER18A, SER18B, SER20A, SER20B, SER72A, SER72B, SER80A, SER80B, SER97A, SER97B, THR45A, THR45B, THR52A, THR52B, THR70B, THR76A, THR76B, TRP13A, TRP13B, TYR102A, TYR102B, TYR103A, TYR103B, TYR87A, TYR87B, VAL79A, VAL79B, VAL93A, VAL93B