3SIE

crystal structure of the pde5a1 catalytic domain in complex with novel inhibitors

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 83
  • Norm. En. per Res.: -1.8793
• 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	-24.1387	-6.5247	-125.318	-155.9814	83	3	0	5654	0	37	36

Interface residues

• A-B: ALA545B, ALA546B, ALA779B, ALA783B, ALA855B, ALA857B, ARG538A, ARG538B, ARG597A, ARG607A, ARG616B, ARG777B, ARG792A, ARG794A, ARG807B, ASN605A, ASN609A, ASN694A, ASN698A, ASN811B, ASP563B, ASP656A, ASP687A, GLN541B, GLN688A, GLN699A, GLN776B, GLN817B, GLN859B, GLN860B, GLU539A, GLU539B, GLU565B, GLU570B, GLU593A, GLU780B, GLU793A, GLU796A, GLY697A, ILE692A, ILE774B, ILE813B, LEU540A, LEU543B, LEU566B, LEU569B, LEU573B, LEU600A, LEU655A, LEU690A, LEU693A, LEU781B, LEU856B, LYS555B, LYS591A, LYS603A, LYS604A, LYS608A, LYS795A, LYS810B, LYS812B, LYS852B, MET691A, PHE564B, PHE787B, PRO696A, PRO773B, PRO814B, SER542B, SER562B, SER567B, SER601A, SER695A, SER815B, THR784B, TRP598A, TRP772B, TRP853B, TYR606A, VAL547B, VAL594A, VAL602A, VAL610A