2BFX

mechanism of aurora-b activation by incenp and inhibition by hesperidin.

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 125
  • Norm. En. per Res.: -5.3482
• 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-D	-58.7537	-72.2799	-537.496	-668.5297	125	15	12	18799	2	30	36
B-C	-36.0831	-91.0112	-491.19	-618.2843	116	22	11	18033	4	31	29

Interface residues

• A-D: ALA110A, ALA120A, ALA173A, ALA800D, ALA802D, ALA810D, ARG111A, ARG139A, ARG140A, ARG149A, ARG155A, ARG163A, ARG165A, ARG175A, ARG812D, ARG823D, ARG86A, ARG86A5, ARG97A, ASN115A, ASN158A, ASN838D, ASP162A, ASP820D, ASP822D, ASP829D, ASP92A, ASP94A, CB4.32302-47.40505, GLN114A, GLN128A, GLN137A, GLN809D, GLN813D, GLN814D, GLU112A, GLU130A, GLU132A, GLU135A, GLU141A, GLU143A, GLU171A, GLU229A, GLU834D, GLU835D, GLY225A, GLY228A, GLY804D, GLY826D, GLY96A, HIS136A, HIS147A, HIS161A, ILE118A, ILE142A, ILE144A, ILE166A, ILE798D, ILE811D, ILE819D, ILE828D, ILE95A, LEU109A, LEU124A, LEU129A, LEU138A, LEU168A, LEU351A, LEU806D, LEU807D, LEU833D, LEU836D, LEU99A, LYS113A, LYS116A, LYS126A, LYS131A, LYS164A, LYS227A, LYS231A, LYS817D, LYS832D, LYS839D, LYS87A, MET119A, MET156A, MET169A, MET824D, PHE104A, PHE117A, PHE125A, PHE160A, PHE172A, PHE837D, PHE88A, PHE93A, PRO174A, PRO352A, PRO353A, PRO799D, PRO818D, PRO831D, PRO98A, SER127A, SER146A, SER803D, SER830D, SER840D, THR808D, THR827D, THR89A, TRP801D, TYR108A, TYR157A, TYR159A, TYR167A, TYR226A, TYR355A, TYR815D, TYR816D, TYR825D, VAL134A, VAL350A, VAL354A, VAL821D
• B-C: ALA110B, ALA120B, ALA173B, ALA802C, ALA810C, ARG111B, ARG139B, ARG140B, ARG149B, ARG155B, ARG163B, ARG165B, ARG175B, ARG812C, ARG823C, ARG86B, ARG97B, ASN115B, ASN158B, ASP162B, ASP820C, ASP822C, ASP829C, ASP92B, ASP94B, GLN114B, GLN137B, GLN356B, GLN809C, GLN813C, GLN814C, GLU112B, GLU130B, GLU135B, GLU141B, GLU143B, GLU171B, GLU229B, GLU834C, GLU835C, GLY225B, GLY228B, GLY804C, GLY826C, GLY96B, HIS136B, HIS147B, HIS161B, ILE118B, ILE142B, ILE144B, ILE166B, ILE798C, ILE811C, ILE819C, ILE828C, ILE95B, LEU109B, LEU124B, LEU129B, LEU138B, LEU168B, LEU351B, LEU806C, LEU807C, LEU833C, LEU836C, LEU99B, LYS113B, LYS116B, LYS126B, LYS164B, LYS227B, LYS231B, LYS817C, LYS832C, LYS85B, LYS87B, MET119B, MET156B, MET169B, MET824C, PHE117B, PHE125B, PHE160B, PHE172B, PHE837C, PHE88B, PHE93B, PRO174B, PRO352B, PRO353B, PRO799C, PRO818C, PRO831C, PRO84B, SER146B, SER803C, SER830C, THR808C, THR827C, THR89B, TRP801C, TYR108B, TYR157B, TYR159B, TYR167B, TYR226B, TYR355B, TYR815C, TYR816C, TYR825C, VAL134B, VAL350B, VAL354B, VAL821C