3QI3

crystal structure of pde9a(q453e) in complex with inhibitor bay73-6691

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 106
  • Norm. En. per Res.: -2.74
• 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	-51.2667	-37.3664	-201.809	-290.4421	106	14	6	8852	4	19	18

Interface residues

• A-B: ALA307A, ALA307B, ALA312A, ALA312B, ALA327A, ALA327B, ALA329A, ALA329B, ALA334A, ALA334B, ARG308A, ARG308B, ARG314A, ARG314B, ARG353A, ARG353B, ARG367A, ARG367B, ASN306A, ASN306B, ASN316A, ASN316B, ASN323A, ASN323B, ASN339A, ASN339B, ASP317A, ASP317B, ASP347A, ASP347B, CYS326A, CYS326B, GLN304A, GLN304B, GLN331A, GLN331B, GLN351A, GLN351B, GLN354A, GLN354B, GLU310A, GLU310B, GLU322A, GLU322B, GLY348A, GLY348B, GLY435A, HIS324A, HIS324B, HIS325A, HIS325B, ILE305A, ILE305B, ILE318A, ILE318B, ILE332A, ILE332B, ILE344A, ILE344B, ILE357A, ILE357B, ILE360A, ILE360B, LEU311A, LEU311B, LEU321A, LEU321B, LEU333A, LEU333B, LEU361A, LEU361B, LEU436A, LEU436B, LYS350A, LYS350B, MET356A, MET356B, PHE330A, PHE330B, PHE341A, PHE341B, PHE349A, PHE349B, PRO320A, PRO320B, PRO345A, PRO345B, PRO346A, PRO346B, PRO437A, PRO437B, SER319A, SER319B, SER342A, SER342B, THR302A, THR309A, THR309B, THR358A, THR358B, TYR315A, TYR315B, VAL313A, VAL313B, VAL328A, VAL328B