2GDR

crystal structure of a bacterial glutathione transferase

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 152
  • Norm. En. per Res.: -2.992
• 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	-14.2224	0.5117	-401.843	-415.5537	154	34	6	15622	2	26	26
A-D	-20.151	-30.519	-108.567	-159.237	65	3	2	4339	3	25	23
C-D	-24.064	17.6794	-413.336	-419.7205	156	43	6	16053	3	27	26
D-E	0.0	4.524	-72.0995	-67.5756	58	0	1	3175	0	7	8
E-F	-25.6499	6.6178	-435.754	-454.7862	152	38	6	16229	2	26	27

Interface residues

• A-B: ALA116A, ALA116B, ALA124A, ALA124B, ALA49A, ALA49B, ALA68A, ALA68B, ALA74A, ALA74B, ALA83A, ALA83B, ALA85A, ALA85B, ARG126A, ARG126B, ARG132A, ARG132B, ARG138A, ARG138B, ARG61A, ARG61B, ARG91A, ARG91B, ASN114A, ASN114B, ASN123A, ASN123B, ASN47A, ASN47B, ASN86A, ASN86B, ASN99A, ASN99B, ASP119A, ASP119B, ASP59A, ASP59B, ASP75A, ASP75B, CYS54A, CYS54B, GLN127A, GLN135A, GLN135B, GLN139A, GLN139B, GLN56A, GLN56B, GLN71A, GLN71B, GLN76A, GLN76B, GLN95A, GLN95B, GLN96A, GLN96B, GLU104A, GLU104B, GLU120A, GLU120B, GLU45A, GLU65A, GLU65B, GLU90A, GLU90B, GLY50A, GLY50B, GLY60A, GLY66A, GLY66B, GLY87A, GLY87B, HIS106A, HIS106B, HIS142A, HIS93A, HIS93B, ILE101A, ILE101B, ILE69A, ILE69B, LEU105A, LEU105B, LEU44A, LEU44B, LEU55A, LEU55B, LEU57A, LEU57B, LEU63A, LEU63B, LEU94A, LEU94B, LEU98A, LEU98B, LYS107A, LYS107B, LYS122A, LYS122B, LYS35A, LYS35B, MET1A, PHE100A, PHE100B, PHE89A, PHE89B, PRO111A, PRO111B, PRO48A, PRO48B, PRO53A, PRO53B, PRO67A, PRO67B, SER102A, SER102B, SER103A, SER103B, SER108A, SER108B, SER110B, SER117A, SER117B, SER118A, SER118B, SER128A, SER128B, SER88A, SER88B, THR131A, THR131B, THR62A, THR62B, THR64A, THR64B, TRP121A, TRP121B, TRP97A, TRP97B, TYR157A, TYR157B, TYR51A, TYR51B, TYR72A, TYR72B, TYR92A, TYR92B, VAL125A, VAL125B, VAL70A, VAL70B, VAL73A, VAL73B
• A-D: ALA194A, ALA194D, ALA197A, ALA197D, ALA21A, ALA38A, ALA38D, ARG196A, ARG196D, ARG19A, ARG19D, ASN24A, ASN24D, ASP58A, ASP58D, ASP59A, ASP59D, GLN192D, GLN29A, GLN29D, GLN41D, GLU189A, GLU198A, GLU198D, GLU26A, GLU26D, GLY199A, GLY199D, GLY22A, GLY22D, GLY40D, GLY60A, GLY60D, HIS15A, HIS15D, ILE201D, LEU18A, LEU18D, LEU195D, LEU200D, LEU23A, LEU23D, LEU27A, LEU27D, LEU3D, LEU57A, LYS2A, LYS2D, LYS80A, MET1A, MET1D, PHE25A, PHE25D, PRO7A, PRO7D, SER193A, SER193D, SER39A, SER39D, TYR5A, TYR5D, VAL28A, VAL28D, VAL30D, VAL77A
• C-D: ALA116C, ALA116D, ALA124C, ALA124D, ALA49C, ALA49D, ALA68C, ALA68D, ALA74C, ALA74D, ALA83C, ALA83D, ALA85C, ALA85D, ARG126C, ARG126D, ARG132C, ARG132D, ARG138C, ARG138D, ARG61C, ARG61D, ARG91C, ARG91D, ASN114C, ASN114D, ASN123C, ASN123D, ASN47C, ASN47D, ASN86C, ASN86D, ASN99C, ASN99D, ASP119C, ASP119D, ASP59C, ASP59D, ASP75C, ASP75D, CYS54C, CYS54D, GLN127C, GLN127D, GLN135C, GLN135D, GLN139C, GLN139D, GLN56C, GLN56D, GLN71C, GLN71D, GLN76C, GLN76D, GLN95C, GLN95D, GLN96C, GLN96D, GLU104C, GLU104D, GLU120C, GLU120D, GLU45C, GLU65C, GLU65D, GLU90C, GLU90D, GLY50C, GLY50D, GLY60C, GLY66C, GLY66D, GLY87C, GLY87D, HIS106C, HIS106D, HIS93C, HIS93D, ILE101C, ILE101D, ILE69C, ILE69D, LEU105C, LEU105D, LEU147D, LEU44C, LEU44D, LEU55C, LEU55D, LEU57C, LEU57D, LEU63C, LEU63D, LEU94C, LEU94D, LEU98C, LEU98D, LYS107C, LYS107D, LYS122C, LYS122D, LYS35C, LYS35D, PHE100C, PHE100D, PHE89C, PHE89D, PRO111C, PRO111D, PRO115C, PRO48C, PRO48D, PRO53C, PRO53D, PRO67C, PRO67D, SER102C, SER102D, SER103C, SER103D, SER108C, SER108D, SER110D, SER117C, SER117D, SER118C, SER118D, SER128C, SER128D, SER88C, SER88D, THR131C, THR131D, THR62C, THR62D, THR64C, THR64D, TRP121C, TRP121D, TRP97C, TRP97D, TYR157C, TYR157D, TYR51C, TYR51D, TYR72C, TYR72D, TYR92C, TYR92D, VAL125C, VAL125D, VAL46D, VAL70C, VAL70D, VAL73C, VAL73D
• D-E: ALA166D, ALA166E, ALA180D, ALA180E, ARG184D, ARG184E, ARG188D, ARG188E, ASP171D, ASP171E, GLN179D, GLN179E, GLN182D, GLN182E, GLN192D, GLN192E, GLU141D, GLU141E, GLU189E, GLY163D, GLY163E, GLY183D, GLY183E, GLY186D, GLY186E, GLY187D, GLY187E, ILE201D, ILE201E, LEU172D, LEU172E, LEU178D, LEU178E, LEU195D, LEU195E, LEU200D, LEU200E, LYS202E, PHE159D, PHE159E, PHE181D, PHE181E, PRO174D, PRO174E, PRO176D, PRO176E, SER173D, SER173E, SER177D, SER177E, TRP175D, TRP175E, TYR167D, TYR167E, VAL185D, VAL185E, VAL191D, VAL191E
• E-F: ALA116E, ALA116F, ALA124E, ALA124F, ALA49E, ALA49F, ALA68E, ALA68F, ALA74E, ALA74F, ALA83E, ALA85E, ALA85F, ARG126E, ARG132E, ARG132F, ARG138E, ARG138F, ARG61E, ARG61F, ARG91E, ARG91F, ASN114E, ASN114F, ASN123E, ASN123F, ASN47E, ASN47F, ASN86E, ASN86F, ASN99E, ASN99F, ASP119E, ASP119F, ASP59E, ASP59F, ASP75E, ASP75F, CYS54E, CYS54F, GLN127E, GLN135E, GLN135F, GLN139E, GLN139F, GLN56E, GLN56F, GLN71E, GLN71F, GLN76E, GLN76F, GLN95E, GLN95F, GLN96E, GLN96F, GLU104E, GLU104F, GLU120E, GLU120F, GLU65E, GLU65F, GLU90E, GLU90F, GLY50E, GLY50F, GLY60E, GLY66E, GLY66F, GLY87E, GLY87F, HIS106E, HIS106F, HIS93E, HIS93F, ILE101E, ILE101F, ILE69E, ILE69F, LEU105E, LEU105F, LEU147F, LEU44E, LEU44F, LEU55E, LEU55F, LEU57E, LEU57F, LEU63E, LEU63F, LEU94E, LEU94F, LEU98E, LEU98F, LYS107E, LYS107F, LYS122E, LYS122F, LYS35E, LYS35F, PHE100E, PHE100F, PHE89E, PHE89F, PRO111E, PRO111F, PRO48E, PRO48F, PRO53E, PRO53F, PRO67E, PRO67F, SER102E, SER102F, SER103E, SER103F, SER108E, SER108F, SER110F, SER117E, SER117F, SER118E, SER118F, SER128E, SER128F, SER88E, SER88F, THR131E, THR131F, THR62E, THR62F, THR64E, THR64F, TRP121E, TRP121F, TRP97E, TRP97F, TYR157E, TYR157F, TYR51E, TYR51F, TYR72E, TYR72F, TYR92E, TYR92F, VAL125E, VAL125F, VAL136E, VAL46F, VAL70E, VAL70F, VAL73E, VAL73F