3E5A

crystal structure of aurora a in complex with vx-680 and tpx2

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 107
  • Norm. En. per Res.: -4.8545
• 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	-45.5614	-26.7724	-447.094	-519.4278	107	14	7	14587	0	35	14

Interface residues

• A-B: ALA129A, ALA12B, ALA167A, ALA203A, ALA281A, ALA39B, ARG126A, ARG151A, ARG179A, ARG180A, ARG189A, ARG195A, ARG205A, ARG251A, ASN18B, ASN30B, ASN40B, ASP11B, ASP132A, ASP15B, ASP202A, ASP27B, ASP32B, CB4.71229-6.41775, CYS247A, GLN127A, GLN154A, GLN168A, GLN177A, GLN185A, GLN29B, GLU131A, GLU152A, GLU170A, GLU175A, GLU181A, GLU183A, GLU211A, GLU36B, GLU37B, GLY198A, GLY26B, HIS176A, HIS187A, HIS190A, HIS201A, HIS280A, ILE158A, ILE17B, ILE184A, ILE209A, ILE31B, LEU159A, LEU164A, LEU169A, LEU178A, LEU188A, LEU196A, LEU208A, LEU210A, LEU41B, LYS125A, LYS125A5, LYS153A, LYS156A, LYS166A, LYS171A, LYS250A, LYS38B, PHE133A, PHE157A, PHE165A, PHE16B, PHE19B, PHE200A, PHE275A, PHE35B, PRO13B, PRO191A, PRO282A, SER14B, SER155A, SER186A, SER20B, SER21B, SER249A, SER278A, SER283A, SER33B, SER6B, SER7B, SER9B, THR204A, THR28B, TRP128A, TRP34B, TYR10B, TYR197A, TYR199A, TYR207A, TYR246A, TYR8B, VAL174A, VAL182A, VAL206A, VAL252A, VAL279A