2YAU

x-ray structure of the leishmania infantum tryopanothione reductase in complex with auranofin

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 290
  • Norm. En. per Res.: -3.1977
• Hub Node: A(1)

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	-76.8491	12.1408	-862.622	-927.3303	290	44	27	36754	0	41	45

Interface residues

• A-B: ALA338A, ALA338B, ALA343A, ALA343B, ALA344A, ALA344B, ALA356A, ALA356B, ALA363A, ALA363B, ALA365A, ALA365B, ALA434A, ALA434B, ALA449A, ALA449B, ALA465A, ALA465B, ALA67A, ALA67B, ALA97A, ALA97B, ALA98A, ALA98B, ARG355A, ARG355B, ARG472A, ARG472B, ARG74A, ARG74B, ARG85A, ARG85B, ASN100A, ASN100B, ASN208A, ASN208B, ASN22B, ASN340A, ASN340B, ASN402A, ASN402B, ASN91A, ASN91B, ASP358A, ASP358B, ASP432A, ASP432B, ASP453A, ASP453B, ASP71A, ASP71B, ASP84A, ASP84B, CYS213A, CYS364A, CYS364B, CYS375A, CYS375B, CYS444A, CYS444B, CYS469A, CYS469B, CYS52A, CYS52B, CYS57A, CYS57B, CYS89A, CYS89B, GLN439A, GLN439B, GLN68A, GLN68B, GLU202A, GLU202B, GLU341A, GLU341B, GLU347A, GLU347B, GLU436A, GLU436B, GLU466A, GLU466B, GLU467A, GLU467B, GLU75A, GLU75B, GLU82A, GLU82B, GLU86A, GLU86B, GLY209A, GLY209B, GLY373A, GLY373B, GLY442A, GLY442B, GLY448A, GLY448B, GLY459A, GLY459B, GLY56A, GLY56B, GLY66A, GLY66B, GLY77A, GLY77B, GLY78A, GLY78B, GLY80A, GLY80B, HIS359A, HIS359B, HIS401A, HIS401B, HIS455A, HIS455B, HIS461A, HIS461B, ILE106A, ILE106B, ILE206A, ILE206B, ILE339A, ILE339B, ILE369A, ILE369B, ILE372A, ILE372B, ILE403A, ILE403B, ILE415A, ILE415B, ILE437A, ILE437B, ILE438A, ILE438B, ILE443A, ILE443B, ILE451A, ILE451B, ILE458A, ILE458B, ILE73A, ILE73B, ILE96A, ILE96B, LEU334A, LEU334B, LEU399A, LEU399B, LEU468A, LEU468B, LEU62A, LEU62B, LEU72A, LEU72B, LEU88A, LEU88B, LEU95A, LEU95B, LYS101A, LYS101B, LYS211A, LYS211B, LYS361A, LYS361B, LYS407A, LYS407B, LYS409A, LYS409B, LYS446A, LYS446B, LYS450A, LYS450B, LYS60A, LYS60B, LYS61A, LYS61B, LYS93A, LYS93B, LYS99A, LYS99B, MET400A, MET400B, MET429A, MET429B, MET445A, MET445B, MET447A, MET447B, MET63A, MET63B, MET70A, MET70B, MET83A, MET83B, PHE367A, PHE367B, PHE396A, PHE396B, PHE411A, PHE411B, PHE454A, PHE454B, PHE79A, PHE79B, PRO336A, PRO336B, PRO371B, PRO398A, PRO398B, PRO435A, PRO435B, PRO462A, PRO462B, PRO59A, PRO59B, PRO90A, PRO90B, SER105A, SER105B, SER14A, SER14B, SER404A, SER404B, SER406A, SER433A, SER433B, SER440A, SER440B, SER452A, SER452B, SER456A, SER456B, SER464A, SER464B, SER470A, SER470B, SER76A, SER76B, THR335A, THR335B, THR357A, THR357B, THR360A, THR360B, THR374A, THR374B, THR457A, THR457B, THR463A, THR463B, THR65A, THR65B, THR94A, THR94B, TRP81A, TRP81B, TRP92A, TRP92B, TYR198A, TYR198B, TYR210A, TYR210B, TYR69A, TYR69B, VAL102A, VAL102B, VAL103A, VAL103B, VAL332A, VAL332B, VAL337A, VAL337B, VAL362A, VAL362B, VAL366A, VAL366B, VAL424A, VAL424B, VAL441A, VAL441B, VAL460A, VAL460B, VAL53A, VAL53B, VAL58A, VAL58B, VAL64A, VAL64B