2F17

mouse thiamin pyrophosphokinase in a ternary complex with pyrithiamin pyrophosphate and amp at 2.5 angstrom

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 142
  • Norm. En. per Res.: -3.4102
• 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	-59.7789	-3.5622	-420.906	-484.2471	142	10	13	16481	0	12	11

Interface residues

• A-B: ALA137A, ALA137B, ALA145A, ALA145B, ALA240A, ALA240B, ARG131A, ARG131B, ASN140A, ASN140B, ASN219A, ASN219B, ASP100A, ASP100B, ASP133A, ASP133B, ASP159A, ASP159B, ASP73A, ASP95B, ASP97A, ASP97B, CYS183A, CYS183B, CYS192A, CYS192B, GLN134A, GLN134B, GLN144A, GLN144B, GLN157A, GLN157B, GLN190A, GLN190B, GLN26A, GLN26B, GLN96A, GLN96B, GLY127A, GLY127B, GLY129A, GLY129B, GLY130A, GLY130B, GLY184A, GLY184B, GLY189A, GLY189B, GLY210A, GLY210B, GLY212A, GLY212B, HIS147A, HIS147B, HIS98A, HIS98B, ILE135A, ILE135B, ILE155A, ILE155B, ILE156B, ILE162A, ILE162B, ILE186A, ILE186B, ILE241A, ILE241B, LEU128A, LEU128B, LEU142A, LEU142B, LEU161A, LEU161B, LEU164A, LEU164B, LEU185A, LEU185B, LEU209A, LEU209B, LEU214A, LEU214B, LEU236A, LEU236B, LYS158A, LYS158B, LYS201A, LYS201B, MET136A, MET136B, MET239A, MET239B, PHE132A, PHE132B, PHE143A, PHE143B, PHE211A, PHE211B, PRO187A, PRO187B, PRO191A, PRO191B, PRO234A, PRO234B, PRO27B, SER138A, SER138B, SER160A, SER160B, SER181A, SER181B, SER216A, SER216B, SER218A, SER218B, THR141A, THR141B, THR146A, THR146B, THR213A, THR213B, THR217A, THR217B, THR220A, THR220B, THR238A, THR238B, THR99A, THR99B, TRP182A, TRP182B, TRP202A, TRP202B, TRP237A, TRP237B, TYR163A, TYR163B, VAL139A, VAL139B, VAL188A, VAL188B, VAL215A, VAL215B