3LWB

crystal structure of apo d-alanine:d-alanine ligase (ddl) from mycobacterium tuberculosis

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 105
  • Norm. En. per Res.: -2.1944
• 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	-35.303	-17.0796	-178.033	-230.4155	105	6	9	8082	7	52	38

Interface residues

• A-B: ALA145A, ALA145B, ALA147A, ALA147B, ALA160A, ALA160B, ALA161A, ALA161B, ALA196A, ALA196B, ALA305A, ALA307A, ALA307B, ALA308A, ALA308B, ARG173A, ARG173B, ARG176B, ARG197A, ARG197B, ARG221B, ARG222A, ARG304A, ARG312A, ARG312B, ARG368A, ASP151A, ASP151B, ASP162A, ASP162B, ASP224A, ASP247A, ASP247B, ASP310A, ASP310B, CYS311A, CYS311B, GLU132A, GLU132B, GLU153A, GLU153B, GLU244A, GLY129A, GLY129B, GLY149A, GLY163A, GLY163B, GLY198A, GLY248A, GLY248B, GLY371B, HIS223A, HIS373B, ILE127B, ILE309A, ILE309B, LEU130A, LEU130B, LEU133A, LEU133B, LEU144A, LEU144B, LEU158A, LEU158B, LEU159A, LEU159B, LEU164A, LEU250A, LEU372B, LYS156A, LYS156B, LYS157A, LYS157B, LYS226A, LYS226B, MET150A, MET150B, MET245A, PHE154A, PHE154B, PHE306A, PRO174A, PRO174B, PRO175A, PRO175B, PRO195A, PRO225A, PRO225B, PRO246A, SER146A, SER146B, SER98A, THR126A, THR126B, THR155A, THR155B, THR249A, TYR169A, TYR169B, VAL143A, VAL143B, VAL148A, VAL148B, VAL171B, VAL97A