3HY2

crystal structure of sulfiredoxin in complex with peroxiredoxin i and atp:mg2+

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 107
  • Norm. En. per Res.: -3.7234
• Hub Node: A(3)

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	-91.1632	-23.8477	-283.388	-398.3989	107	10	13	11082	2	33	30
A-X	-21.7621	-5.3979	-137.729	-164.8889	61	7	10	5521	0	12	14
A-Y	-45.0655	-8.69	302.487	248.7315	88	10	8	9711	1	8	15
B-X	-48.2623	-13.8493	396.64	334.5284	87	9	8	9843	1	7	14
B-Y	-23.4965	-6.4093	-130.066	-159.9718	62	4	10	5268	0	12	14

Interface residues

• A-B: ALA121A, ALA121B, ALA162A, ALA162B, ALA6A, ALA6B, ARG128A, ARG128B, ARG140A, ARG140B, ARG151A, ARG151B, ARG158A, ARG158B, ASN145A, ASN145B, ASN5A, ASN5B, ASP122A, ASP122B, ASP134A, ASP134B, ASP146A, ASP146B, ASP154A, ASP154B, ASP167A, ASP167B, GLN141A, GLN141B, GLN161A, GLN161B, GLN164A, GLN164B, GLU155A, GLU155B, GLU55A, GLU55B, GLY117A, GLY117B, GLY129A, GLY129B, GLY150A, GLY150B, GLY4A, GLY4B, GLY9A, GLY9B, HIS10A, HIS10B, ILE132A, ILE132B, ILE138A, ILE138B, ILE142A, ILE142B, ILE8A, ILE8B, LEU119A, LEU119B, LEU130A, LEU130B, LEU139A, LEU139B, LEU147A, LEU147B, LEU159A, LEU159B, LYS120A, LYS120B, LYS7A, LYS7B, PHE127A, PHE127B, PHE131A, PHE131B, PHE163A, PHE163B, PHE165A, PHE165B, PHE59A, PHE59B, PRO148A, PRO148B, SER152A, SER152B, SER3A, SER3B, THR143A, THR143B, THR156A, THR156B, THR166A, THR166B, TYR116B, TYR38A, TYR38B, VAL118A, VAL118B, VAL144A, VAL144B, VAL149A, VAL149B, VAL153A, VAL153B, VAL160A, VAL160B
• A-X: ALA131X, ALA99X, ARG101X, ARG126X, ARG128A, ARG37X, ARG51X, ASP122A, ASP124X, ASP146A, ASP47A, ASP52A, ASP80X, GLN94A, GLU123A, GLY130X, GLY150A, GLY95A, GLY97X, GLY98X, ILE125A, ILE79X, LEU122X, LEU125X, LEU129X, LEU147A, LEU46A, LEU53X, LEU82X, LYS116X, LYS120A, LYS61X, LYS92A, LYS93A, PHE127A, PHE48A, PHE50A, PHE96X, PRO148A, PRO45A, PRO52X, PRO54X, PRO77X, SER120X, SER123X, SER126A, SER132X, SER55X, SER75X, SER95X, THR133X, THR49A, THR54A, TYR128X, TYR94X, VAL118X, VAL127X, VAL149A, VAL51A, VAL56X, VAL81X
• A-Y: ALA115Y, ALA131Y, ALA162A, ALA175A, ALA39Y, ALA40Y, ARG126Y, ARG140A, ARG51Y, ASP134A, ASP135Y, ASP167A, ASP182A, ASP187A, ASP74Y, ASP91Y, CYS185A, CYS43Y, GLN119Y, GLN137Y, GLN161A, GLN164A, GLN88Y, GLU171A, GLY130Y, GLY170A, GLY176A, GLY180A, GLY86Y, GLY89Y, GLY90Y, GLY9A, HIS10A, HIS169A, HIS42Y, ILE113Y, ILE138A, ILE184A, ILE38Y, ILE50Y, ILE84Y, ILE8A, LEU117Y, LEU125Y, LEU129Y, LEU136Y, LEU139A, LEU49Y, LEU53Y, LYS136A, LYS168A, LYS178A, LYS85Y, PHE163A, PHE165A, PHE93Y, PHE96Y, PRO114Y, PRO134Y, PRO174A, PRO179A, PRO186A, PRO45Y, PRO52Y, PRO54Y, PRO73Y, PRO78Y, SER132Y, SER173A, SER181A, SER47Y, SER55Y, THR112Y, THR133Y, THR166A, THR183A, TRP177A, TRP83Y, TYR105Y, TYR128Y, TYR38A, TYR92Y, TYR94Y, VAL172A, VAL41Y, VAL44Y, VAL48Y, VAL81Y
• B-X: ALA115X, ALA131X, ALA162B, ALA175B, ALA39X, ALA40X, ARG140B, ARG158B, ARG51X, ASP134B, ASP135X, ASP167B, ASP182B, ASP74X, ASP91X, CYS185B, CYS43X, GLN119X, GLN137X, GLN161B, GLN164B, GLN88X, GLU171B, GLY130X, GLY170B, GLY176B, GLY180B, GLY86X, GLY89X, GLY90X, GLY9B, HIS10B, HIS169B, HIS42X, ILE113X, ILE138B, ILE184B, ILE38X, ILE50X, ILE84X, ILE8B, LEU117X, LEU125X, LEU129X, LEU136X, LEU139B, LEU49X, LEU53X, LYS116X, LYS136B, LYS168B, LYS178B, LYS85X, PHE163B, PHE165B, PHE93X, PHE96X, PRO114X, PRO134X, PRO174B, PRO179B, PRO186B, PRO45X, PRO52X, PRO54X, PRO78X, SER132X, SER173B, SER181B, SER47X, SER55X, THR112X, THR133X, THR166B, THR183B, TRP177B, TRP83X, TYR102X, TYR128X, TYR38B, TYR92X, TYR94X, VAL172B, VAL41X, VAL44X, VAL48X, VAL81X
• B-Y: ALA131Y, ALA99Y, ARG101Y, ARG126Y, ARG128B, ARG37Y, ARG51Y, ASP122B, ASP124Y, ASP146B, ASP47B, ASP52B, ASP80Y, GLN94B, GLU123B, GLY130Y, GLY150B, GLY95B, GLY97Y, GLY98Y, ILE125B, ILE79Y, LEU117Y, LEU122Y, LEU125Y, LEU129Y, LEU147B, LEU46B, LEU53Y, LEU82Y, LYS116Y, LYS120B, LYS61Y, LYS92B, LYS93B, PHE127B, PHE48B, PHE50B, PHE96Y, PRO148B, PRO45B, PRO52Y, PRO54Y, PRO77Y, SER120Y, SER123Y, SER126B, SER132Y, SER55Y, SER75Y, SER95Y, THR133Y, THR49B, THR54B, TYR128Y, TYR94Y, VAL118Y, VAL127Y, VAL149B, VAL51B, VAL56Y, VAL81Y