3LXT

crystal structure of glutathione s transferase from pseudomonas fluorescens

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 195
  • Norm. En. per Res.: -3.916
• 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	0.0	0.0	-0.0899	-0.0899	2	0	0	23	0	1	1
A-D	-100.2261	-138.3171	-525.074	-763.6172	195	18	19	22836	16	62	58
B-C	-91.3298	-139.6338	-529.238	-760.2015	197	16	18	22825	16	62	58
B-D	-26.8892	1.4056	-107.43	-132.9135	59	5	0	4144	0	14	11
C-D	0.0	0.0	-1.4334	-1.4334	7	0	0	126	0	1	2

Interface residues

• A-B: GLN143B, LYS121A
• A-D: ALA100A, ALA100D, ALA102A, ALA102D, ALA103A, ALA103D, ALA119A, ALA119D, ALA136A, ALA136D, ALA137A, ALA137D, ALA51A, ALA51D, ALA76D, ALA86A, ALA86D, ARG117A, ARG117D, ARG129A, ARG129D, ARG16A, ARG16D, ARG90A, ARG90D, ARG92A, ARG92D, ARG95A, ARG95D, ASN115A, ASN46A, ASN46D, ASP64A, ASP64D, ASP70A, ASP70D, CYS56A, CYS56D, GLN109A, GLN109D, GLN122A, GLN122D, GLN133A, GLN133D, GLN135A, GLN135D, GLN143A, GLN143D, GLN158A, GLN158D, GLU105A, GLU105D, GLU113A, GLU113D, GLU120A, GLU120D, GLU128A, GLU128D, GLU140A, GLU140D, GLU144A, GLU144D, GLU57A, GLU57D, GLU60A, GLU60D, GLU73A, GLU73D, GLU93A, GLU93D, GLY124A, GLY124D, GLY132A, GLY132D, GLY139A, GLY139D, GLY58A, GLY58D, GLY59A, GLY59D, GLY77D, GLY98A, GLY98D, HIS123A, HIS123D, ILE45A, ILE45D, ILE68A, ILE68D, ILE69A, ILE69D, LEU101A, LEU101D, LEU116A, LEU116D, LEU127A, LEU127D, LEU134A, LEU134D, LEU141A, LEU141D, LEU3A, LEU3D, LEU54A, LEU54D, LEU62A, LEU62D, LEU67A, LEU67D, LEU72A, LEU72D, LEU75A, LEU75D, LEU87A, LEU87D, LEU91A, LEU91D, LEU94A, LEU94D, LEU96A, LEU96D, LEU99A, LEU99D, LYS106A, LYS106D, LYS121A, LYS121D, LYS147A, LYS147D, LYS43A, LYS43D, LYS50A, LYS50D, MET63A, MET63D, MET83A, MET83D, PHE36A, PHE36D, PHE39A, PHE39D, PHE42A, PHE42D, PRO118A, PRO118D, PRO125A, PRO125D, PRO47A, PRO47D, PRO84A, PRO84D, PRO88A, PRO88D, SER162A, SER162D, SER34A, SER34D, SER37A, SER37D, SER65A, SER65D, SER66A, SER66D, THR53A, THR53D, THR74A, THR74D, THR85A, THR85D, TRP126A, TRP126D, TYR112A, TYR112D, TYR138A, TYR138D, TYR13A, TYR13D, TYR71A, TYR71D, VAL108A, VAL108D, VAL130A, VAL130D, VAL35A, VAL35D, VAL48A, VAL48D, VAL49A, VAL49D, VAL55A, VAL55D, VAL61A, VAL61D, VAL97A, VAL97D
• B-C: ALA100B, ALA100C, ALA102B, ALA102C, ALA103B, ALA103C, ALA119B, ALA119C, ALA136B, ALA136C, ALA137B, ALA137C, ALA51B, ALA51C, ALA76B, ALA76C, ALA86B, ALA86C, ARG117B, ARG117C, ARG129B, ARG129C, ARG16B, ARG16C, ARG90B, ARG90C, ARG92B, ARG92C, ARG95B, ARG95C, ASN115B, ASN115C, ASN46B, ASN46C, ASP64B, ASP64C, ASP70B, ASP70C, CYS56B, CYS56C, GLN109B, GLN109C, GLN122B, GLN122C, GLN133B, GLN133C, GLN135B, GLN135C, GLN143B, GLN143C, GLN158B, GLN158C, GLU105B, GLU105C, GLU113B, GLU113C, GLU120B, GLU120C, GLU128B, GLU128C, GLU140B, GLU140C, GLU144B, GLU144C, GLU57B, GLU57C, GLU60B, GLU60C, GLU73B, GLU73C, GLU93B, GLU93C, GLY124B, GLY124C, GLY132B, GLY132C, GLY139B, GLY139C, GLY58B, GLY58C, GLY59B, GLY59C, GLY77B, GLY77C, GLY98B, GLY98C, HIS123B, HIS123C, ILE45B, ILE45C, ILE68B, ILE68C, ILE69B, ILE69C, LEU101B, LEU101C, LEU116B, LEU116C, LEU127B, LEU127C, LEU134B, LEU134C, LEU141B, LEU141C, LEU3B, LEU3C, LEU54B, LEU54C, LEU62B, LEU62C, LEU67B, LEU67C, LEU72B, LEU72C, LEU75B, LEU75C, LEU87B, LEU87C, LEU91B, LEU91C, LEU94B, LEU94C, LEU96B, LEU96C, LEU99B, LEU99C, LYS106B, LYS106C, LYS121B, LYS121C, LYS147B, LYS147C, LYS43B, LYS43C, LYS50B, LYS50C, MET63B, MET63C, MET83B, MET83C, PHE36B, PHE36C, PHE39B, PHE39C, PHE42B, PHE42C, PRO118B, PRO118C, PRO125B, PRO125C, PRO47B, PRO47C, PRO84B, PRO84C, PRO88B, PRO88C, SER162B, SER162C, SER34B, SER34C, SER37B, SER37C, SER65C, SER66B, SER66C, THR53B, THR53C, THR74B, THR74C, THR85B, THR85C, TRP126B, TRP126C, TYR112B, TYR112C, TYR138B, TYR138C, TYR13B, TYR13C, TYR71B, TYR71C, VAL108B, VAL108C, VAL130B, VAL130C, VAL35B, VAL35C, VAL48B, VAL48C, VAL49B, VAL49C, VAL55B, VAL55C, VAL61B, VAL61C, VAL97B, VAL97C
• B-D: ALA119D, ALA175B, ALA175D, ALA185B, ARG114B, ARG114D, ARG117D, ASN115D, ASN179B, ASN179D, ASP176B, ASP176D, GLN122B, GLN122D, GLN135B, GLN143B, GLN146B, GLN171D, GLN177B, GLN177D, GLN182B, GLN182D, GLU120D, GLU128B, GLU140B, GLU142B, GLU144B, GLY124B, GLY124D, GLY131B, GLY132B, GLY139B, GLY181B, HIS123D, ILE110D, LEU116D, LEU127B, LEU127D, LEU134B, LEU141B, LEU145B, LYS121D, LYS147B, MET172D, MET173D, PHE169D, PHE178B, PHE178D, PHE183B, PRO118D, PRO180B, PRO180D, PRO184B, SER170D, THR205D, TYR138B, VAL111D, VAL174D, VAL186B
• C-D: GLU128D, GLU40C, GLY124D, LEU127D, LYS43C, PHE39C, PRO125D