2C4J

human glutathione-s-transferase m2-2 t210s mutant in complex with glutathione-styrene oxide conjugate

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 122
  • Norm. En. per Res.: -5.0506
• 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	-17.8179	-204.7895	-363.091	-585.6985	119	7	14	13537	8	60	53
A-D	-12.8268	11.6113	-90.3851	-91.6007	52	5	0	3659	0	30	34
C-D	-22.4882	-214.9453	-378.736	-616.1695	122	7	14	14249	6	64	57

Interface residues

• A-B: ALA75A, ALA75B, ARG78A, ARG78B, ARG82A, ARG82B, ARG96A, ARG96B, ASN102A, ASN102B, ASN59A, ASN59B, ASN74A, ASN74B, ASP106A, ASP106B, ASP56A, ASP56B, ASP65A, ASP65B, ASP98A, ASP98B, CYS87A, GLN103A, GLN103B, GLN110B, GLN140A, GLN140B, GLN72A, GLN72B, GLN94A, GLN94B, GLU101A, GLU101B, GLU133A, GLU133B, GLU89A, GLU89B, GLU91A, GLU91B, GLU93A, GLU93B, GLU97A, GLU97B, HIS68A, HIS68B, ILE70A, ILE70B, ILE76A, ILE76B, ILE80A, ILE80B, ILE95A, ILE95B, ILE99A, ILE99B, LEU100A, LEU100B, LEU135A, LEU135B, LEU137A, LEU137B, LEU142A, LEU142B, LEU164A, LEU55A, LEU55B, LEU63A, LEU63B, LEU77A, LEU77B, LYS113A, LYS113B, LYS136A, LYS136B, LYS50A, LYS50B, LYS69A, LYS69B, LYS83A, LYS83B, LYS92A, LYS92B, MET105A, MET105B, MET109A, MET109B, MET134A, MET134B, PHE104A, PHE104B, PHE141A, PHE141B, PHE148A, PHE148B, PHE155A, PHE155B, PHE51A, PHE51B, PHE57A, PHE57B, PRO58A, PRO58B, SER107A, SER107B, SER139A, SER139B, SER73A, SER73B, SER90A, SER90B, THR67A, THR67B, THR71A, THR71B, TYR138A, TYR138B, TYR79A, TYR79B
• A-D: ALA196A, ALA38D, ARG187A, ARG202D, ARG43D, ASN48D, ASN9D, ASP151A, ASP183A, ASP37D, ASP42D, GLN145A, GLN45D, GLU189A, GLU192A, GLU30D, GLU49D, GLY150A, GLY190A, GLY36D, ILE153A, ILE185A, ILE194A, LEU191A, LEU204D, LEU47D, LYS144A, LYS152A, LYS193A, LYS199A, LYS211D, LYS218D, LYS31D, LYS32D, LYS50D, LYS52D, MET35D, PHE184A, PHE188A, PHE203D, PRO146A, PRO179A, SER186A, SER195A, SER200D, SER201D, SER44D, THR34D, TRP147A, TRP46D, TYR23A, TYR33D
• C-D: ALA75C, ALA75D, ARG78C, ARG78D, ARG82C, ARG82D, ARG96C, ARG96D, ASN102C, ASN102D, ASN59C, ASN59D, ASN74C, ASN74D, ASP106C, ASP106D, ASP117D, ASP56C, ASP56D, ASP65C, ASP65D, ASP98C, ASP98D, GLN103C, GLN103D, GLN110D, GLN140C, GLN140D, GLN72C, GLN72D, GLN94C, GLN94D, GLU101C, GLU101D, GLU133C, GLU133D, GLU89D, GLU91C, GLU91D, GLU93C, GLU93D, GLU97C, GLU97D, GLY54C, GLY54D, GLY66D, HIS68C, HIS68D, ILE70C, ILE70D, ILE76C, ILE76D, ILE80C, ILE80D, ILE95C, ILE95D, ILE99C, ILE99D, LEU100C, LEU100D, LEU135C, LEU135D, LEU137C, LEU137D, LEU13C, LEU142C, LEU142D, LEU55C, LEU55D, LEU63C, LEU63D, LEU77C, LEU77D, LYS113C, LYS113D, LYS136C, LYS136D, LYS50C, LYS50D, LYS69C, LYS69D, LYS83C, LYS83D, LYS92C, LYS92D, MET105C, MET105D, MET109C, MET109D, MET134C, MET134D, PHE104C, PHE104D, PHE141C, PHE141D, PHE148C, PHE148D, PHE155C, PHE155D, PHE51C, PHE51D, PHE57C, PHE57D, PRO118D, PRO58C, PRO58D, SER107C, SER107D, SER139C, SER139D, SER73C, SER73D, SER90C, SER90D, THR67C, THR67D, THR71C, THR71D, TYR138C, TYR138D, TYR79C, TYR79D