3COH

crystal structure of aurora-a in complex with a pentacyclic inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 96
  • Norm. En. per Res.: -2.6883
• 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	-7.6538	-54.9108	-195.514	-258.0785	96	6	0	7786	6	64	72

Interface residues

• A-B: ALA167A, ALA167B, ALA172A, ALA172B, ARG179A, ARG179B, ARG180A, ARG180B, ARG255A, ARG255B, ARG304A, ARG304B, ARG340A, ARG340B, ARG343A, ARG343B, ASN367A, ASN367B, ASP307A, ASP307B, ASP336A, ASP336B, GLN168A, GLN168B, GLN177A, GLN177B, GLN335A, GLN335B, GLU170A, GLU170B, GLU175A, GLU175B, GLU299A, GLU299B, GLU302A, GLU302B, GLU308A, GLU308B, GLU345A, GLU345B, GLY173A, GLY173B, GLY303A, GLY303B, HIS176A, HIS176B, HIS254A, HIS254B, HIS306A, HIS306B, HIS366A, HIS366B, ILE184A, ILE184B, ILE253A, ILE253B, ILE301A, ILE301B, ILE341A, LEU169A, LEU169B, LEU289A, LEU289B, LEU296A, LEU296B, LYS143A, LYS143B, LYS166B, LYS171A, LYS171B, LYS251A, LYS251B, LYS339A, LYS339B, MET300A, MET300B, MET305A, MET305B, PHE144A, PHE144B, PRO298A, PRO298B, SER342A, SER342B, THR333A, THR333B, TYR334A, TYR334B, TYR338A, TYR338B, VAL174A, VAL174B, VAL252A, VAL252B, VAL310A, VAL310B