3I8V

crystal structure of human pde4a with 4-(3-butoxy-4-methoxyphenyl) methyl-2-imidazolidone

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 127
  • Norm. En. per Res.: -3.5552
• 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	-75.8883	-140.9267	-234.69	-451.505	127	13	0	9267	8	76	90

Interface residues

• A-B: ALA325A, ALA325B, ALA367A, ALA367B, ALA432A, ALA432B, ALA447A, ARG328A, ARG328B, ARG558A, ARG558B, ARG560A, ARG560B, ARG562A, ARG562B, ASN290A, ASN290B, ASN426A, ASN426B, ASN428A, ASN428B, ASN457A, ASN457B, ASP299B, ASP352A, ASP352B, ASP363A, ASP363B, ASP368A, ASP368B, ASP415A, ASP415B, ASP456A, ASP456B, ASP557A, ASP557B, CYS458A, CYS458B, GLN454A, GLN454B, GLN554A, GLN554B, GLU362A, GLU362B, GLU430A, GLU430B, GLU455A, GLU455B, GLU559A, GLU559B, GLU561A, GLU561B, GLU565B, GLY295A, GLY295B, GLY326A, GLY326B, GLY563A, GLY563B, HIS288A, HIS364A, HIS364B, HIS366A, HIS366B, HIS444A, HIS444B, HIS573A, HIS573B, ILE291A, ILE291B, ILE425A, ILE425B, LEU359A, LEU359B, LEU361A, LEU361B, LEU424A, LEU424B, LEU431A, LEU431B, LEU433A, LEU433B, LEU452A, LEU452B, LYS297A, LYS297B, LYS451A, LYS451B, LYS572A, LYS572B, MET289A, MET289B, MET358A, MET358B, MET434A, MET564A, MET564B, PHE423A, PHE423B, PRO292A, PRO292B, PRO417A, PRO417B, SER429A, SER429B, THR331A, THR331B, THR356A, THR356B, THR360A, THR360B, THR427A, THR427B, TYR357A, TYR357B, TYR365A, TYR365B, VAL296A, VAL296B, VAL355A, VAL355B, VAL369A, VAL369B, VAL419A, VAL419B, VAL448A, VAL448B