2QX0

crystal structure of yersinia pestis hppk (ternary complex)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 115
  • Norm. En. per Res.: -3.4526
• 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	-56.8608	32.6676	-372.854	-397.0472	115	8	1	13037	0	44	49

Interface residues

• A-B: ALA121A, ALA121B, ALA76A, ALA76B, ARG111A, ARG111B, ARG122A, ARG122B, ARG79A, ARG79B, ARG83A, ARG83B, ARG85A, ARG85B, ARG89A, ARG89B, ARG93A, ARG93B, ASN154A, ASN154B, ASN80A, ASN80B, ASP110A, ASP110B, ASP140B, ASP50A, ASP50B, ASP72A, ASP72B, ASP96A, ASP96B, GLN49A, GLN49B, GLN51A, GLN51B, GLN69A, GLN69B, GLN75A, GLN75B, GLN81A, GLN81B, GLN88A, GLN88B, GLU123A, GLU123B, GLU68A, GLU68B, GLU78A, GLU78B, GLU87A, GLU87B, GLY118A, GLY118B, GLY47A, GLY47B, GLY82A, GLY82B, GLY91A, GLY91B, HIS116A, HIS116B, HIS73A, HIS73B, ILE107A, ILE107B, ILE114A, ILE114B, ILE77A, ILE77B, LEU112A, LEU112B, LEU119A, LEU119B, LEU46A, LEU46B, LEU71A, LEU71B, LEU95A, LEU95B, LEU97A, LEU97B, LYS108A, LYS108B, LYS120A, LYS120B, LYS86A, LYS86B, PHE124A, PHE124B, PHE54A, PHE54B, PRO115A, PRO115B, PRO45A, PRO45B, PRO48A, PRO48B, PRO92A, PRO92B, THR109A, THR109B, THR113A, THR113B, THR74A, THR74B, THR94A, THR94B, TRP90A, TRP90B, TYR117A, TYR117B, VAL151A, VAL151B, VAL84A, VAL84B