1XWK

2.3 angstrom resolution crystal structure of human glutathione s-transferase m1a-1a complexed with glutathionyl-s-dinitrobenzene

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 123
  • Norm. En. per Res.: -3.3477
• 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	-2.9856	1.6764	-27.4348	-28.7441	26	5	0	1032	0	12	12
A-C	-12.6555	-97.0666	-302.041	-411.7631	123	3	12	12358	8	66	47

Interface residues

• A-B: ARG201A, ARG201B, ASN84A, ASP24A, ASP24B, ASP64B, GLU21A, GLU28B, GLU29B, HIS83A, ILE3B, LEU20A, LYS192A, LYS82A, MET2A, MET2B, PRO1A, PRO1B, SER25A, SER25B, SER26A, SER26B, THR23A, TYR22A, TYR27A, TYR27B
• A-C: ALA66A, ALA66C, ALA74A, ALA74C, ARG144A, ARG144C, ARG42A, ARG42C, ARG81A, ARG81C, ARG95A, ARG95C, ASN101A, ASN101C, ASN106A, ASN106C, ASN58A, ASN58C, ASN73A, ASN73C, ASP105A, ASP105C, ASP55A, ASP55C, ASP64A, ASP64C, ASP97A, ASP97C, CYS77A, CYS77C, CYS86A, CYS86C, GLN102A, GLN102C, GLN109A, GLN109C, GLN71A, GLN71C, GLU100A, GLU100C, GLU132A, GLU132C, GLU139A, GLU139C, GLU90A, GLU90C, GLU91A, GLU91C, GLU92A, GLU92C, HIS67A, HIS67C, ILE69A, ILE69C, ILE75A, ILE75C, ILE94A, ILE94C, ILE98A, ILE98C, LEU134A, LEU134C, LEU136A, LEU136C, LEU141A, LEU141C, LEU54A, LEU54C, LEU62C, LEU76A, LEU76C, LEU99A, LEU99C, LYS125A, LYS125C, LYS133A, LYS133C, LYS135A, LYS135C, LYS49A, LYS49C, LYS68A, LYS68C, LYS82A, LYS82C, LYS93A, LYS93C, MET104A, MET104C, MET108A, MET108C, MET112A, MET112C, PHE140A, PHE140C, PHE147A, PHE147C, PHE154A, PHE154C, PHE50A, PHE50C, PHE56A, PHE56C, PRO57A, PRO57C, SER138A, SER138C, SER72A, SER72C, THR103A, THR103C, THR70A, THR70C, THR89A, THR89C, TYR137A, TYR137C, TYR78A, TYR78C, VAL159A, VAL159C, VAL96A, VAL96C