3LJ0

ire1 complexed with adp and quercetin

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 202
  • Norm. En. per Res.: -3.8995
• 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	-154.0323	-225.9297	-407.745	-787.707	202	44	4	16871	21	92	82

Interface residues

• A-B: ALA1070A, ALA1070B, ALA744A, ALA744B, ALA782A, ALA782B, ALA786A, ALA786B, ALA813A, ALA813B, ALA971A, ALA971B, ARG1053A, ARG1053B, ARG1056A, ARG1056B, ARG1110A, ARG1110B, ARG697A, ARG697B, ARG730A, ARG730B, ARG779A, ARG779B, ARG810A, ARG810B, ARG823A, ARG823B, ARG976A, ARG976B, ARG996A, ARG996B, ASN672A, ASN672B, ASN727A, ASN727B, ASP1064A, ASP1064B, ASP1078A, ASP1078B, ASP1106A, ASP1106B, ASP723A, ASP723B, ASP724A, ASP724B, ASP814A, ASP814B, ASP995A, ASP995B, CYS733A, CYS733B, GLN1107A, GLN1107B, GLN695A, GLN695B, GLN780A, GLN780B, GLN815A, GLN815B, GLN816A, GLN816B, GLU1000A, GLU1000B, GLU1071A, GLU1071B, GLU1111A, GLU1111B, GLU721A, GLU721B, GLU735A, GLU735B, GLU746A, GLU746B, GLU988A, GLU988B, GLU998A, GLU998B, GLY1074A, GLY1074B, GLY1079A, GLY1079B, GLY696A, GLY696B, GLY784A, GLY784B, GLY818A, GLY818B, HIS1060A, HIS1060B, HIS1061A, HIS1061B, HIS725A, HIS725B, HIS787A, HIS787B, HIS789A, HIS789B, ILE1108A, ILE1108B, ILE716A, ILE716B, ILE729A, ILE729B, ILE999A, ILE999B, LEU1008A, LEU1008B, LEU1103A, LEU1103B, LEU1109A, LEU1109B, LEU673A, LEU673B, LEU718A, LEU718B, LEU719A, LEU719B, LEU745A, LEU745B, LEU788A, LEU788B, LEU791A, LEU791B, LEU825A, LEU825B, LEU975A, LEU975B, LEU987A, LEU987B, LEU991A, LEU991B, LEU997A, LEU997B, LYS671A, LYS671B, LYS717A, LYS717B, LYS792A, LYS792B, LYS834A, LYS834B, LYS985A, LYS985B, LYS992A, LYS992B, MET1063A, MET1063B, MET972A, MET972B, PHE1062A, PHE1062B, PHE1080A, PHE1080B, PHE1112A, PHE1112B, PHE694A, PHE694B, PHE811A, PHE811B, PRO1075A, PRO1075B, PRO1077A, PRO1077B, PRO698A, PRO698B, PRO726A, PRO726B, SER722A, SER722B, SER734A, SER734B, SER783A, SER783B, SER790A, SER790B, SER808A, SER808B, SER809A, SER809B, SER984A, SER984B, THR720A, THR720B, THR736A, THR736B, THR812A, THR812B, THR817A, THR817B, TYR1059A, TYR1059B, TYR731A, TYR731B, TYR732A, TYR732B, VAL1076A, VAL1076B, VAL728A, VAL728B, VAL785A, VAL785B