3N2I

2.25 angstrom resolution crystal structure of a thymidylate kinase (tmk) from vibrio cholerae o1 biovar eltor str. n16961 in complex with thymidine

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 105
  • Norm. En. per Res.: -3.5745
• 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	-79.8962	14.037	-309.463	-375.3222	105	8	17	13877	1	30	23

Interface residues

• A-B: ALA114A, ALA125A, ALA125B, ALA47A, ALA47B, ALA52A, ALA52B, ALA74A, ALA74B, ALA75A, ALA75B, ARG156A, ARG156B, ARG76A, ARG76B, ASN82A, ASN82B, ASP65A, ASP65B, GLN123A, GLN123B, GLN64A, GLN64B, GLN78A, GLN78B, GLU48A, GLU48B, GLU56A, GLU56B, GLU57A, GLU57B, GLU61A, GLU61B, GLU62A, GLU62B, GLU68A, GLU68B, GLU81A, GLU81B, GLY127A, GLY127B, GLY43A, GLY43B, GLY60A, GLY60B, HIS58A, HIS58B, ILE113A, ILE113B, ILE66A, ILE66B, LEU121A, LEU121B, LEU126A, LEU126B, LEU45A, LEU45B, LEU46A, LEU46B, LEU50A, LEU50B, LEU53A, LEU53B, LEU63A, LEU63B, LEU69A, LEU69B, LEU70A, LEU70B, LEU71A, LEU71B, LEU79A, LEU79B, LYS49A, LYS49B, MET118A, MET118B, PRO59A, PRO59B, PRO86A, PRO86B, SER116A, SER116B, SER120A, SER120B, THR117A, THR117B, THR124A, THR124B, THR44A, THR44B, THR67A, THR67B, TYR73A, TYR73B, VAL54A, VAL54B, VAL72A, VAL72B, VAL77A, VAL77B, VAL80A, VAL80B, VAL83A, VAL83B