1YF0

structural and biochemical analysis of the link between enzymatic activity and oligomerization in ahpc, a bacterial peroxiredoxin.

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 76
  • Norm. En. per Res.: -1.837
• Hub Node: B(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	-122.2276	18.4447	1182.99	1079.2071	135	24	22	13158	2	40	35
B-C	0.0	12.1283	-151.742	-139.6137	76	2	10	6603	0	28	18
B-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
C-D	-98.9971	23.4792	471.158	395.64	119	17	18	11408	2	40	38
D-E	0.0	12.4645	-150.819	-138.3545	76	9	10	6682	0	28	18

Interface residues

• A-B: ALA117A, ALA117B, ALA120A, ALA120B, ALA132A, ALA132B, ALA137A, ALA137B, ALA144A, ALA144B, ALA153A, ALA153B, ALA154A, ALA154B, ALA158A, ALA158B, ALA167A, ARG105A, ARG111A, ARG111B, ARG119A, ARG119B, ARG142A, ARG142B, ARG149A, ARG149B, ASN109A, ASN109B, ASN4A, ASN4B, ASP108A, ASP108B, ASP113A, ASP118A, ASP118B, ASP125A, ASP125B, ASP143A, ASP143B, ASP146A, ASP146B, ASP52B, CYS165A, CYS165B, CYS46A, CYS46B, GLN131A, GLN131B, GLN155A, GLN155B, GLU112A, GLU114A, GLU114B, GLU134A, GLU134B, GLU138A, GLU138B, GLU163A, GLU163B, GLU49A, GLU49B, GLU86B, GLY139A, GLY139B, GLY141A, GLY141B, GLY162A, GLY162B, ILE129A, ILE129B, ILE130A, ILE130B, ILE133A, ILE133B, ILE140A, ILE140B, ILE151A, ILE151B, ILE3A, ILE3B, ILE88B, LEU116A, LEU147A, LEU147B, LEU2A, LEU2B, LYS150A, LYS150B, LYS152A, LYS152B, MET110A, MET110B, PHE107A, PHE107B, PHE122A, PHE122B, PHE42B, PHE44A, PHE44B, PRO161A, PRO161B, PRO166A, PRO47A, PRO47B, SER145A, SER145B, SER1A, SER1B, SER84B, SER85B, THR104A, THR121A, THR121B, THR136A, THR136B, THR43A, THR43B, THR48A, THR48B, THR87B, TRP32A, TRP32B, TRP81B, TYR156A, TYR156B, VAL123A, VAL123B, VAL135A, VAL135B, VAL157A, VAL157B, VAL164A, VAL164B, VAL45A, VAL45B
• B-C: ALA102B, ALA102C, ALA40B, ALA40C, ALA80B, ALA80C, ARG105B, ARG105C, ARG111B, ARG111C, ASP113B, ASP113C, ASP41B, ASP41C, ASP73B, ASP73C, ASP98B, ASP98C, GLN13C, GLU112B, GLU112C, GLU114B, GLU114C, GLU19C, GLY101B, GLY101C, GLY115B, GLY115C, GLY18B, GLY18C, HIS75B, HIS75C, HIS78B, HIS78C, ILE77B, ILE77C, LEU116B, LEU116C, LYS79B, LYS79C, MET110B, MET110C, PHE15B, PHE15C, PHE20B, PHE20C, PHE42B, PHE42C, PHE44B, PHE44C, PHE76B, PHE76C, PRO39B, PRO39C, PRO99B, PRO99C, SER71B, SER71C, SER83B, SER83C, SER84B, SER84C, THR100B, THR100C, THR43B, THR43C, THR72B, THR72C, THR74B, THR74C, TRP81B, TRP81C, TYR38B, TYR38C, VAL45B, VAL45C
• B-D: PHE76B, VAL164D
• C-D: ALA117C, ALA117D, ALA120C, ALA120D, ALA132C, ALA132D, ALA137C, ALA137D, ALA144C, ALA144D, ALA153C, ALA153D, ALA154C, ALA154D, ALA158C, ALA158D, ARG111C, ARG111D, ARG119C, ARG119D, ARG142C, ARG142D, ARG149C, ARG149D, ASN109C, ASN109D, ASN4C, ASN4D, ASP108C, ASP108D, ASP118C, ASP118D, ASP125C, ASP125D, ASP143C, ASP143D, ASP146C, ASP146D, CYS165D, CYS46C, CYS46D, GLN131C, GLN131D, GLN155C, GLN155D, GLU112C, GLU112D, GLU114C, GLU134C, GLU134D, GLU138C, GLU138D, GLU163C, GLU163D, GLU49C, GLU49D, GLY139C, GLY139D, GLY141C, GLY141D, GLY162C, GLY162D, HIS160C, HIS160D, ILE129C, ILE129D, ILE130C, ILE130D, ILE133C, ILE133D, ILE140C, ILE140D, ILE151C, ILE151D, ILE3C, ILE3D, LEU147C, LEU147D, LEU2C, LEU2D, LYS150C, LYS150D, LYS152C, LYS152D, MET110C, MET110D, PHE107C, PHE107D, PHE122C, PHE122D, PHE44C, PHE44D, PRO161C, PRO161D, PRO166D, PRO47C, SER145C, SER145D, SER1C, SER1D, THR121C, THR121D, THR136C, THR136D, THR43C, THR48C, TRP32C, TRP32D, TYR156C, TYR156D, VAL123C, VAL123D, VAL135C, VAL135D, VAL157C, VAL157D, VAL164D, VAL45C, VAL45D
• D-E: ALA102D, ALA102E, ALA40D, ALA40E, ALA80D, ALA80E, ARG105D, ARG105E, ARG111D, ARG111E, ASP113D, ASP113E, ASP41D, ASP41E, ASP73D, ASP73E, ASP98D, ASP98E, GLU112D, GLU112E, GLU114D, GLU114E, GLU19D, GLU19E, GLY101D, GLY101E, GLY115D, GLY115E, GLY18D, GLY18E, HIS75D, HIS75E, HIS78D, HIS78E, ILE77D, ILE77E, LEU116D, LEU116E, LYS79D, LYS79E, MET110D, MET110E, PHE15D, PHE15E, PHE20D, PHE20E, PHE42D, PHE42E, PHE44D, PHE44E, PHE76D, PHE76E, PRO39D, PRO39E, PRO99D, PRO99E, SER71D, SER71E, SER83D, SER83E, SER84D, SER84E, THR100D, THR100E, THR43D, THR43E, THR72D, THR72E, THR74D, THR74E, TRP81D, TRP81E, TYR38D, TYR38E, VAL45D, VAL45E