1W2G

crystal structure of mycobacterium tuberculosis thymidylate kinase complexed with deoxythymidine (dt) (2.1 a resolution)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 81
  • Norm. En. per Res.: -3.9352
• 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	-59.9793	-42.4507	-216.325	-318.755	81	7	13	9274	8	26	13

Interface residues

• A-B: ALA116A, ALA116B, ALA44A, ALA44B, ALA45A, ALA45B, ALA48A, ALA48B, ALA49A, ALA49B, ALA51A, ALA51B, ALA60A, ALA60B, ALA65A, ALA65B, ALA67A, ALA67B, ALA71A, ALA71B, ALA75A, ALA75B, ARG107A, ARG107B, ARG122A, ARG122B, ARG127A, ARG127B, ASP46A, ASP46B, ASP58A, ASP58B, ASP73A, ASP73B, GLU124A, GLU50A, GLU50B, GLU55A, GLU55B, GLY129A, GLY40A, GLY40B, GLY57A, GLY57B, GLY76B, HIS56A, HIS56B, ILE123A, ILE123B, ILE47A, ILE47B, LEU108A, LEU108B, LEU128A, LEU128B, LEU59A, LEU59B, LEU69A, LEU69B, LEU72A, LEU72B, LYS115A, LYS115B, MET66A, MET66B, SER42A, SER42B, SER61A, SER61B, SER62A, SER62B, THR68A, THR68B, TRP119A, TRP119B, TYR64A, TYR64B, VAL43A, VAL43B, VAL63A, VAL63B