2H34

apoenzyme crystal structure of the tuberculosis serine/threonine kinase, pkne

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 95
  • Norm. En. per Res.: -4.3507
• 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	-49.7779	-99.568	-263.968	-413.3139	95	13	0	10603	10	66	52

Interface residues

• A-B: ALA149A, ALA149B, ALA153A, ALA153B, ALA43B, ALA65A, ALA65B, ALA68A, ALA68B, ARG121A, ARG121B, ARG38A, ARG38B, ARG40A, ARG40B, ARG63A, ARG63B, ARG66A, ARG66B, ARG70A, ARG70B, ARG94A, ARG94B, ASN97A, ASN97B, ASP150A, ASP150B, ASP151A, ASP35A, ASP35B, ASP81A, ASP81B, ASP92A, ASP92B, GLN122A, GLN122B, GLN62A, GLN62B, GLN72A, GLN72B, GLU32B, GLU34A, GLU34B, GLU39A, GLU39B, GLU73A, GLU73B, GLY69A, GLY69B, GLY83A, GLY83B, HIS75A, HIS75B, HIS80A, HIS80B, ILE41A, ILE41B, ILE79A, ILE79B, ILE96A, ILE96B, LEU71A, LEU71B, LEU95A, LEU95B, PHE152A, PHE152B, PHE82A, PHE82B, PRO74A, PRO74B, PRO78A, PRO78B, SER125A, SER125B, SER148A, SER148B, THR36A, THR67A, THR67B, TYR154A, TYR154B, TYR16B, TYR90A, TYR90B, VAL37A, VAL37B, VAL42A, VAL42B, VAL76A, VAL76B, VAL77A, VAL77B, VAL91A, VAL91B