1XW6

1.9 angstrom resolution structure of human glutathione s- transferase m1a-1a complexed with glutathione

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 123
  • Norm. En. per Res.: -3.9274
• 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	-28.374	-117.6852	-337.009	-483.0682	123	3	13	12849	5	63	48
A-C	0.0	-5.6045	-40.9856	-46.5901	21	0	1	1563	1	8	9
A-D	-14.9255	-11.625	-7.4593	-34.0098	21	1	0	540	1	12	9
B-C	-4.2954	0.6252	-15.8015	-19.4717	19	0	0	731	0	11	10
C-D	-13.9241	-118.7291	-335.778	-468.4312	122	4	12	12798	6	64	48

Interface residues

• A-B: ALA66A, ALA66B, ALA74A, ALA74B, ARG144A, ARG144B, ARG81A, ARG81B, ARG95A, ARG95B, ASN101A, ASN101B, ASN106A, ASN106B, ASN58A, ASN58B, ASN73A, ASN73B, ASP105A, ASP105B, ASP55A, ASP55B, ASP64A, ASP64B, ASP97A, ASP97B, CYS77A, CYS77B, CYS86A, CYS86B, GLN102A, GLN102B, GLN109A, GLN109B, GLN71A, GLN71B, GLU100A, GLU100B, GLU132A, GLU132B, GLU139A, GLU139B, GLU88A, GLU88B, GLU90A, GLU90B, GLU91A, GLU91B, GLU92A, GLU92B, HIS67A, HIS67B, ILE69A, ILE69B, ILE75A, ILE75B, ILE79A, ILE79B, ILE94A, ILE94B, ILE98A, ILE98B, LEU134A, LEU134B, LEU136A, LEU136B, LEU141A, LEU141B, LEU54A, LEU54B, LEU62A, LEU62B, LEU76A, LEU76B, LEU99A, LEU99B, LYS133A, LYS133B, LYS135A, LYS135B, LYS49A, LYS49B, LYS68A, LYS68B, LYS82A, LYS82B, LYS93A, LYS93B, MET104A, MET104B, MET108A, MET108B, MET112A, MET112B, PHE140A, PHE140B, PHE147A, PHE147B, PHE154B, PHE50A, PHE50B, PHE56A, PHE56B, PRO57A, PRO57B, SER138A, SER138B, SER72A, SER72B, THR103A, THR103B, THR70A, THR70B, THR89A, THR89B, TYR137A, TYR137B, TYR78A, TYR78B, VAL159A, VAL159B, VAL96A, VAL96B
• A-C: ALA66A, ASN47C, ASP55A, GLU48C, GLY53A, GLY53C, GLY65A, LEU46C, LEU52A, LEU52C, LEU54A, LYS49C, LYS51A, LYS51C, LYS68A, LYS68C, PHE50A, PHE50C, PHE56A, PRO57A, PRO57C
• A-D: ALA176D, ASN47A, GLU128D, GLU129D, GLU132D, GLU139D, GLU28A, GLU48A, ILE3A, ILE63A, LEU136D, LEU52A, LYS125D, LYS133D, LYS135D, LYS143D, LYS30A, LYS51A, PRO1A, TYR32A, TYR61A
• B-C: ARG95B, ASN47C, ASP41C, GLN44C, GLU132B, GLU139B, GLU48C, GLY142B, LEU136B, LEU46C, LYS135B, LYS143B, LYS30C, LYS31C, LYS51C, PHE140B, PHE177B, SER43C, TRP45C
• C-D: ALA66C, ALA66D, ALA74C, ALA74D, ARG144C, ARG144D, ARG81C, ARG81D, ARG95C, ARG95D, ASN101C, ASN101D, ASN106C, ASN106D, ASN58C, ASN58D, ASN73C, ASN73D, ASP105C, ASP105D, ASP55C, ASP55D, ASP64C, ASP64D, ASP97C, ASP97D, CYS77C, CYS77D, CYS86C, CYS86D, GLN102C, GLN102D, GLN109C, GLN109D, GLN71C, GLN71D, GLU100C, GLU100D, GLU132C, GLU132D, GLU139C, GLU139D, GLU88C, GLU88D, GLU90C, GLU90D, GLU91C, GLU91D, GLU92C, GLU92D, HIS67C, HIS67D, ILE69C, ILE69D, ILE75C, ILE75D, ILE79C, ILE79D, ILE94C, ILE94D, ILE98C, ILE98D, LEU134C, LEU134D, LEU136C, LEU136D, LEU141C, LEU141D, LEU54C, LEU54D, LEU62C, LEU62D, LEU76C, LEU76D, LEU99C, LEU99D, LYS133C, LYS133D, LYS135C, LYS135D, LYS49C, LYS49D, LYS68C, LYS68D, LYS82C, LYS82D, LYS93C, LYS93D, MET104C, MET104D, MET108C, MET108D, MET112C, MET112D, PHE140C, PHE140D, PHE147C, PHE147D, PHE50C, PHE50D, PHE56C, PHE56D, PRO57C, PRO57D, SER138C, SER138D, SER72C, SER72D, THR103C, THR103D, THR70C, THR70D, THR89C, THR89D, TYR137C, TYR137D, TYR78C, TYR78D, VAL159C, VAL159D, VAL96C, VAL96D