1R4W

crystal structure of mitochondrial class kappa glutathione transferase

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 129
  • Norm. En. per Res.: -3.7626
• 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	-54.9059	-86.2245	-348.954	-490.0844	132	22	16	13799	8	16	25
A-D	0.0	-8.3767	-72.7899	-81.1667	49	7	1	3531	1	7	7
B-D	-8.5838	-12.4412	-63.3304	-84.3554	43	2	0	2368	1	9	12
C-D	-62.5109	-89.6763	-333.186	-485.3732	129	25	16	13323	8	17	25

Interface residues

• A-B: ALA175A, ALA175B, ALA180A, ALA180B, ALA207A, ALA207B, ARG202A, ARG202B, ASN53A, ASN53B, ASP201A, ASP201B, ASP50A, ASP50B, CYS176A, CYS176B, GLN54A, GLN54B, GLN64A, GLN64B, GLN75A, GLN75B, GLN78A, GLN78B, GLU204A, GLU204B, GLU69A, GLU69B, GLY173A, GLY173B, GLY179A, GLY179B, GLY182A, GLY182B, GLY199A, GLY199B, GLY216A, GLY216B, GLY52A, GLY52B, GLY63A, GLY63B, HIS61A, HIS61B, ILE47A, ILE47B, ILE66A, ILE66B, ILE70A, ILE70B, LEU197A, LEU197B, LEU205A, LEU205B, LEU206A, LEU206B, LEU209A, LEU209B, LEU21A, LEU21B, LEU72A, LEU72B, LEU73A, LEU73B, LEU76A, LEU76B, LYS177A, LYS177B, LYS193A, LYS193B, LYS213A, LYS213B, LYS62A, LYS62B, LYS68A, LYS68B, LYS74A, LYS74B, MET196A, MET196B, MET203A, MET203B, MET215A, MET215B, MET48A, MET48B, MET58A, MET58B, PHE181A, PHE181B, PHE198A, PHE198B, PHE77A, PHE77B, PRO217A, PRO217B, PRO55A, PRO55B, PRO56A, PRO56B, PRO60A, PRO60B, PRO71A, PRO71B, SER200A, SER200B, SER51A, SER51B, THR185A, THR185B, THR186A, THR186B, THR194A, THR194B, TRP214A, TRP214B, TYR178A, TYR178B, TYR18A, TYR18B, TYR195A, TYR195B, TYR208A, TYR208B, TYR29B, TYR65A, TYR65B, VAL218A, VAL218B, VAL59A, VAL59B, VAL79A
• A-D: ALA142D, ALA145D, ALA148D, ALA150D, ALA152D, ARG119A, ARG128A, ARG28A, ASN157D, GLN110D, GLN151D, GLN153D, GLN75A, GLN78A, GLU109D, GLU112D, GLU143D, GLU24A, GLY146D, HIS154D, LEU155D, LEU72A, LEU73A, LEU76A, LYS116D, LYS144A, LYS144D, LYS158D, LYS74A, MET108D, MET113D, MET123A, MET147D, MET81A, PHE77A, PRO111D, PRO217A, PRO219A, PRO220A, PRO71A, PRO80A, SER127A, SER82A, THR149D, THR221A, TRP20A, VAL117D, VAL218A, VAL79A
• B-D: ALA207B, ALA4B, ALA4D, ARG6B, ARG6D, ASN34B, ASN34D, ASP191B, GLN110D, GLN30D, GLU109D, GLU112D, GLU212B, GLU212D, GLY192B, GLY211B, GLY2B, GLY2D, HIS31D, ILE35D, LEU205B, LEU209B, LEU210B, LEU32D, LEU37D, LYS116D, LYS193B, LYS213D, LYS36D, LYS38D, MET113D, MET215D, PRO111D, PRO3B, PRO3D, PRO5B, PRO5D, TRP33D, TYR195B, TYR208B, TYR29D, VAL190B, VAL7D
• C-D: ALA175C, ALA175D, ALA180C, ALA180D, ALA207C, ALA207D, ARG202C, ARG202D, ASN53C, ASN53D, ASP201C, ASP201D, ASP50C, ASP50D, CYS176C, CYS176D, GLN54C, GLN54D, GLN64C, GLN64D, GLN75C, GLN75D, GLN78C, GLN78D, GLU204C, GLU204D, GLU69C, GLU69D, GLY179C, GLY179D, GLY182C, GLY182D, GLY199C, GLY199D, GLY216C, GLY216D, GLY52C, GLY52D, GLY63C, GLY63D, HIS61C, HIS61D, ILE47C, ILE66C, ILE66D, ILE70C, ILE70D, LEU197C, LEU197D, LEU205C, LEU205D, LEU206C, LEU206D, LEU209C, LEU209D, LEU21C, LEU21D, LEU72C, LEU72D, LEU73C, LEU73D, LEU76C, LEU76D, LYS177C, LYS177D, LYS193C, LYS193D, LYS213C, LYS213D, LYS62C, LYS62D, LYS68C, LYS68D, LYS74C, LYS74D, MET196C, MET196D, MET203C, MET203D, MET215C, MET215D, MET48C, MET48D, MET58C, MET58D, PHE181C, PHE181D, PHE198C, PHE198D, PHE77C, PHE77D, PRO184C, PRO217C, PRO217D, PRO55D, PRO56C, PRO56D, PRO60C, PRO60D, PRO71C, PRO71D, SER200C, SER200D, SER51C, SER51D, THR185C, THR185D, THR186C, THR186D, THR194C, THR194D, TRP214C, TRP214D, TYR178C, TYR178D, TYR18C, TYR18D, TYR195C, TYR195D, TYR208C, TYR208D, TYR29C, TYR29D, TYR65C, TYR65D, VAL218C, VAL218D, VAL59C, VAL59D