3HJN

crystal structure of thymidylate kinase in complex with dtdp and adp from thermotoga maritima

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 99
  • Norm. En. per Res.: -3.3889
• 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	-44.2743	-17.7397	-273.487	-335.5009	99	17	15	12033	3	32	36

Interface residues

• A-B: ALA116A, ALA116B, ALA59A, ALA59B, ALA66A, ALA66B, ARG144A, ARG47A, ARG47B, ARG68A, ARG68B, ASN113A, ASN113B, ASN69A, ASN69B, ASP114A, ASP114B, ASP118A, ASP118B, GLN98A, GLN98B, GLU111A, GLU111B, GLU41A, GLU41B, GLU44A, GLU44B, GLU52A, GLU52B, GLU53A, GLU53B, GLU54A, GLU54B, GLU60A, GLU60B, GLU74A, GLU74B, GLY105A, GLY105B, GLY119A, GLY119B, GLY43A, GLY43B, GLY99A, GLY99B, ILE108A, ILE108B, ILE46A, ILE46B, ILE49A, ILE49B, LEU104A, LEU104B, LEU112A, LEU112B, LEU50A, LEU50B, LEU61A, LEU61B, LEU63A, LEU63B, LEU65A, LEU65B, LEU70A, LEU70B, LEU71A, LEU71B, LYS45A, LYS45B, LYS48A, LYS48B, LYS58A, LYS58B, PHE115A, PHE115B, PHE62A, PHE62B, PHE64A, PHE64B, PRO57A, PRO57B, SER67A, SER67B, THR117A, THR117B, THR40A, THR40B, THR42A, THR42B, THR56A, THR56B, THR73A, THR73B, VAL109A, VAL109B, VAL55A, VAL55B, VAL72A, VAL72B