1Q9D

fructose-1,6-bisphosphatase complexed with a new allosteric site inhibitor (i-state)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 223
  • Norm. En. per Res.: -3.4131
• 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	-125.1436	38.5893	-674.565	-761.1193	223	37	30	28298	2	43	27

Interface residues

• A-B: ALA170A, ALA170B, ALA189A, ALA189B, ALA216A, ALA216B, ALA238A, ALA238B, ALA242A, ALA242B, ALA250A, ALA250B, ALA47A, ALA47B, ALA51A, ALA51B, ALA54A, ALA54B, ALA60A, ALA60B, ARG198A, ARG198B, ARG243A, ARG243B, ARG254A, ARG254B, ARG49A, ARG49B, ASN125A, ASN125B, ASN212A, ASN212B, ASN236A, ASN236B, ASN64A, ASN9A, ASN9B, ASP127A, ASP127B, ASP187A, ASP187B, ASP197A, ASP197B, ASP235B, ASP251A, ASP251B, CYS128A, CYS128B, CYS183A, CYS183B, GLN228A, GLN228B, GLU192A, GLU192B, GLU213A, GLU213B, GLU218A, GLU218B, GLY122A, GLY122B, GLY133A, GLY133B, GLY168A, GLY168B, GLY191A, GLY191B, GLY214A, GLY214B, GLY241A, GLY241B, GLY246A, GLY246B, GLY259A, GLY259B, GLY52A, GLY52B, GLY58A, GLY58B, GLY61A, GLY61B, HIS253A, HIS253B, HIS55A, HIS55B, ILE10A, ILE10B, ILE126A, ILE126B, ILE132A, ILE132B, ILE190A, ILE190B, ILE194A, ILE194B, ILE208A, ILE208B, ILE211A, ILE211B, ILE227A, ILE227B, ILE53A, ILE53B, ILE59A, ILE59B, LEU120A, LEU120B, LEU129A, LEU129B, LEU166A, LEU166B, LEU173A, LEU173B, LEU186A, LEU186B, LEU195A, LEU195B, LEU256A, LEU256B, LEU56A, LEU56B, LEU73A, LEU73B, LYS217A, LYS217B, LYS230A, LYS230B, LYS231A, LYS231B, LYS268A, LYS269A, LYS274A, LYS274B, LYS50A, LYS50B, MET172A, MET172B, MET185A, MET185B, PHE184A, PHE184B, PHE193A, PHE193B, PHE219A, PHE219B, PHE232A, PHE232B, PRO188A, PRO188B, PRO233A, PRO233B, PRO234B, PRO239A, PRO239B, SER123A, SER123B, SER124A, SER124B, SER131A, SER131B, SER169A, SER169B, SER207A, SER207B, SER210A, SER210B, SER237A, SER237B, SER247A, SER247B, SER45A, SER45B, SER62A, SER62B, THR12A, THR12B, THR171A, THR171B, THR224A, THR224B, THR255A, THR255B, THR46A, THR46B, THR63A, THR66A, THR8A, THR8B, TYR164A, TYR164B, TYR167A, TYR167B, TYR209A, TYR209B, TYR215A, TYR215B, TYR240A, TYR240B, TYR244A, TYR244B, TYR258A, TYR258B, TYR264A, TYR264B, TYR57A, TYR57B, VAL11A, VAL11B, VAL130A, VAL130B, VAL174A, VAL174B, VAL196A, VAL196B, VAL245A, VAL245B, VAL249A, VAL249B, VAL252A, VAL252B, VAL257A, VAL257B, VAL48A, VAL48B