2CCJ

crystal structure of s. aureus thymidylate kinase complexed with thymidine monophosphate

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 108
  • Norm. En. per Res.: -3.1725
• 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	-30.7991	5.7113	-317.547	-342.6348	108	5	11	12666	4	35	38

Interface residues

• A-B: ALA114A, ALA114B, ALA119A, ALA119B, ALA63A, ALA63B, ALA67A, ALA67B, ALA68A, ALA68B, ARG113A, ARG113B, ARG48A, ARG48B, ARG60A, ARG60B, ARG70A, ARG70B, ARG71A, ARG71B, ASN116A, ASN116B, ASN121A, ASN121B, ASN55A, ASN55B, ASP56A, ASP56B, ASP58A, ASP58B, GLN101A, GLN101B, GLU110A, GLU110B, GLU111A, GLU111B, GLU117A, GLU117B, GLU45A, GLU45B, GLU46A, GLU46B, GLU53A, GLU53B, GLU62A, GLU62B, GLU72A, GLU72B, GLY102A, GLY102B, GLY108A, GLY108B, GLY122A, GLY122B, GLY44A, GLY44B, GLY54A, GLY54B, HIS73A, HIS73B, ILE107A, ILE107B, ILE120A, ILE120B, ILE47A, ILE47B, ILE50A, ILE50B, ILE59A, ILE59B, ILE79B, LEU115A, LEU115B, LEU123A, LEU65A, LEU65B, LEU74A, LEU74B, LEU76A, LEU76B, LYS49A, LYS49B, MET57A, MET57B, MET64A, MET64B, PHE118A, PHE118B, PHE66A, PHE66B, PRO42A, PRO42B, SER69A, SER69B, SER97A, THR43A, THR43B, THR61A, THR61B, VAL109A, VAL109B, VAL112A, VAL112B, VAL41A, VAL51A, VAL51B, VAL75A, VAL75B