1PTJ

crystal structure analysis of the di and diii complex of transhydrogenase with a thio-nicotinamide nucleotide analogue

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 175
  • Norm. En. per Res.: -3.0508
• Hub Node: A(2)

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	-60.0322	-27.169	-446.686	-533.8872	175	26	22	17864	1	28	22
A-C	-11.0968	-2.6416	-99.3053	-113.0437	55	3	2	3879	0	5	0
B-C	-21.7611	-15.2311	-180.486	-217.4782	88	11	1	7507	0	19	16

Interface residues

• A-B: ALA131A, ALA131B, ALA144A, ALA144B, ALA153A, ALA153B, ALA157A, ALA157B, ALA159A, ALA159B, ALA166A, ALA166B, ALA167A, ALA167B, ALA173A, ALA173B, ALA189A, ALA189B, ALA191A, ALA191B, ALA196A, ALA196B, ALA328A, ALA328B, ALA329A, ALA329B, ALA331A, ALA331B, ALA336A, ALA336B, ALA43A, ALA43B, ALA49B, ARG130A, ARG147A, ARG147B, ARG158A, ARG158B, ARG193A, ARG193B, ARG326A, ARG326B, ASN142A, ASN142B, ASN338A, ASN338B, ASN341A, ASN341B, ASP135A, ASP135B, ASP14A, ASP14B, ASP151A, ASP151B, ASP330A, ASP330B, GLN132A, GLN132B, GLN140A, GLN140B, GLN186A, GLN186B, GLU155A, GLU155B, GLU21A, GLU21B, GLY145A, GLY152A, GLY152B, GLY168A, GLY168B, GLY195A, GLY195B, GLY287A, GLY287B, GLY314A, GLY314B, GLY40A, GLY42A, GLY42B, HIS320A, HIS320B, ILE136A, ILE136B, ILE150A, ILE150B, ILE260B, ILE291B, ILE309A, ILE309B, ILE45A, ILE45B, LEU143A, LEU143B, LEU194A, LEU194B, LEU334A, LEU334B, LEU339A, LEU339B, LEU340A, LYS192A, LYS192B, LYS285A, LYS285B, LYS316A, LYS316B, LYS337A, LYS337B, MET134A, MET134B, MET162A, MET162B, MET163A, MET163B, MET164A, MET164B, PHE156A, PHE156B, PHE160A, PHE160B, PHE335A, PHE335B, PRO161A, PRO161B, PRO171A, PRO171B, PRO172A, PRO172B, PRO20B, PRO286A, PRO286B, PRO324A, PRO324B, PRO333A, PRO333B, SER129A, SER129B, SER133A, SER133B, SER138A, SER138B, SER139A, SER139B, SER19B, SER288A, SER288B, SER325A, SER325B, SER332A, SER332B, SER44A, SER44B, THR165A, THR165B, THR169A, THR169B, THR190A, THR190B, THR46A, THR46B, TYR146A, TYR146B, TYR154A, TYR154B, VAL149A, VAL149B, VAL170A, VAL170B, VAL318A, VAL318B, VAL327A, VAL327B, VAL41A, VAL41B
• A-C: ALA100C, ALA166A, ALA167A, ALA173A, ALA196A, ALA83C, ALA88C, ARG174A, ARG193A, ASN103C, ASN96C, ASP107C, GLU101C, GLU108C, GLU111C, GLU113C, GLU114C, GLY168A, GLY195A, GLY215A, GLY93C, HIS85C, HIS94C, ILE84C, LEU112C, LEU194A, LEU214A, LEU99C, LYS192A, MET149C, MET162A, MET163A, MET164A, MET91C, MET95C, PHE110C, PHE160A, PRO105C, PRO150C, PRO161A, PRO171A, PRO172A, PRO86C, PRO92C, THR165A, THR169A, TYR106C, TYR82C, VAL104C, VAL109C, VAL170A, VAL197A, VAL198A, VAL87C, VAL97C
• B-C: ALA100C, ALA131B, ALA138C, ALA172C, ALA183B, ALA187B, ALA189B, ALA191B, ALA206B, ALA58C, ALA60C, ALA62C, ALA88C, ARG127B, ARG130B, ARG165C, ARG193B, ARG90C, ASN142B, ASN341B, ASN96C, ASP132C, GLN132B, GLN140B, GLN186B, GLN210B, GLN61C, GLN63C, GLU101C, GLU113C, GLU209B, GLU212B, GLY145B, GLY148C, GLY181B, GLY184B, GLY215B, GLY216B, GLY54C, GLY56C, GLY89C, GLY93C, HIS64C, HIS85C, HIS94C, ILE128B, ILE146C, ILE151C, ILE188B, LEU143B, LEU185B, LEU194B, LEU214B, LEU334B, LEU98C, LEU99C, LYS192B, LYS208B, LYS25B, LYS337B, MET149C, MET57C, MET91C, MET95C, PRO145C, PRO150C, PRO86C, PRO92C, SER129B, SER133B, SER138B, SER139B, SER141B, SER144C, SER213B, THR190B, THR207B, TYR106C, TYR147C, TYR171C, TYR55C, VAL133C, VAL180B, VAL182B, VAL211B, VAL59C, VAL87C, VAL97C