2PG2

crystal structure of ksp in complex with adp and thiophene containing inhibitor 15

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 100
  • Norm. En. per Res.: -2.6961
• 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	-53.7698	-45.6201	-170.217	-269.6069	100	12	1	6594	4	28	38

Interface residues

• A-B: ALA219A, ALA224A, ALA224B, ALA225A, ALA225B, ALA230A, ALA230B, ALA31A, ALA31B, ARG119A, ARG119B, ARG221A, ARG221B, ARG234A, ARG234B, ARG33B, ASN122A, ASN122B, ASN173A, ASN173B, ASN206A, ASN229A, ASN229B, ASN29B, ASP130A, ASP130B, ASP177A, ASP177B, ASP208A, ASP208B, GLN212A, GLN212B, GLU118B, GLU123A, GLU123B, GLU124A, GLU124B, GLU128A, GLU128B, GLU129A, GLU129B, GLU180A, GLU209A, GLU209B, GLU215A, GLU215B, GLU32B, ILE213A, ILE213B, LEU227A, LEU227B, LEU30A, LEU30B, LYS207A, LYS207B, LYS216A, LYS216B, LYS34A, LYS34B, MET228A, MET228B, PRO121A, PRO121B, PRO174A, PRO174B, SER120A, SER120B, SER175A, SER175B, SER176A, SER176B, SER232A, SER232B, SER233A, SER233B, SER235B, THR107A, THR107B, THR112A, THR112B, THR126A, THR126B, THR222A, THR222B, THR223A, THR223B, THR226A, THR226B, TRP127A, TRP127B, TYR125A, TYR125B, TYR164A, TYR164B, TYR211A, TYR211B, TYR231A, TYR231B, VAL210A, VAL210B