1SO2

catalytic domain of human phosphodiesterase 3b in complex with a dihydropyridazine inhibitor

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 97
  • Norm. En. per Res.: -3.436
• Hub Node: A(3)

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	-27.8221	-68.6658	-171.998	-268.4859	97	15	7	8178	8	19	17
A-C	-12.7042	-18.428	-63.1652	-94.2974	58	2	2	3556	0	17	17
A-D	0.0	0.0	-24.4463	-24.4463	23	0	0	1283	0	3	2
B-C	-14.7908	-2.996	-51.927	-69.7137	35	1	0	2150	2	15	16
C-D	-51.2993	-84.8161	-197.177	-333.2924	97	15	8	8579	9	16	16

Interface residues

• A-B: ALA831A, ALA831B, ALA835A, ALA835B, ALA838A, ALA838B, ALA841A, ALA841B, ALA855A, ALA855B, ALA856A, ALA856B, ALA858A, ALA858B, ALA889A, ALA889B, ALA892A, ALA892B, ARG847A, ARG847B, ARG883A, ARG883B, ASN837A, ASN837B, ASN845A, ASN845B, ASN852A, ASN852B, ASN860A, ASN860B, ASP846A, ASP846B, GLN840A, GLN840B, GLN930A, GLN930B, GLU851A, GLU851B, GLU888A, GLU888B, HIS853A, HIS853B, HIS854A, HIS854B, HIS876A, HIS876B, ILE887A, ILE887B, ILE890A, ILE890B, LEU843A, LEU843B, LEU850A, LEU850B, LEU861A, LEU861B, LEU863A, LEU863B, LEU891A, LEU891B, LEU926B, LEU971B, LYS880A, LYS880B, LYS896A, LYS896B, LYS897A, LYS897B, PHE879A, PHE879B, PHE884A, PHE884B, PHE901A, PHE901B, PRO839A, PRO839B, PRO972A, SER848A, SER848B, SER857A, SER857B, SER864A, SER864B, THR836B, TRP859A, TRP859B, TYR844A, TYR844B, TYR862A, TYR862B, VAL834A, VAL834B, VAL842A, VAL842B, VAL849A, VAL849B, VAL886B
• A-C: ALA726A, ARG694A, ARG725A, ARG732A, ARG739A, ARG865A, ARG865C, ASN722A, ASN722C, ASN729A, ASN860A, ASN869C, ASP733A, ASP824A, ASP875C, GLN718A, GLN718C, GLN719C, GLN840A, GLU690A, GLU711C, GLU728A, GLU867A, GLU867C, GLU878C, GLY693A, GLY730A, HIS853A, HIS873C, HIS876C, LEU727A, LEU861A, LEU863A, LEU863C, LEU871C, LEU872C, LEU874C, LYS691A, LYS714C, LYS880C, MET721A, PHE724A, PHE879C, PHE882C, PRO716C, PRO839A, PRO866A, PRO866C, SER697A, SER857A, SER864A, SER864C, TYR731A, TYR823A, TYR862C, TYR868A, TYR868C, VAL877C
• A-D: ALA835D, ALA967D, ARG865A, ASN837D, ASN869A, ASN968D, GLN718A, GLN719A, GLU867A, GLU965D, GLU966D, GLY970D, HIS873A, LEU871A, LEU872A, LEU969D, LEU971D, PHE870A, PRO716A, PRO866A, PRO972D, THR836D, TYR862A
• B-C: ALA726B, ARG725B, ARG732B, ARG739B, ARG778C, ARG865B, ASN722B, ASN729B, ASN860B, ASP733B, ASP774C, ASP776C, ASP824B, ASP875C, GLN840B, GLU728B, GLU867B, GLY730B, GLY777C, GLY782C, HIS781C, HIS825B, HIS853B, ILE779C, LEU727B, LEU861B, PRO826B, PRO839B, SER775C, SER857B, SER864B, TYR723B, TYR731B, TYR823B, TYR868B
• C-D: ALA831C, ALA835C, ALA835D, ALA838C, ALA838D, ALA841C, ALA841D, ALA855C, ALA855D, ALA856C, ALA856D, ALA858C, ALA858D, ALA889C, ALA889D, ALA892C, ALA892D, ARG847C, ARG847D, ARG883C, ARG883D, ASN837C, ASN837D, ASN845C, ASN845D, ASN852C, ASN852D, ASN860C, ASN860D, ASP846C, ASP846D, GLN840C, GLN840D, GLN930C, GLN930D, GLU851C, GLU851D, GLU888C, GLU888D, HIS853C, HIS853D, HIS854C, HIS854D, HIS876C, HIS876D, ILE887C, ILE887D, ILE890C, ILE890D, LEU833C, LEU833D, LEU843C, LEU843D, LEU850C, LEU850D, LEU861C, LEU861D, LEU863C, LEU863D, LEU891C, LEU891D, LEU971C, LEU971D, LYS880C, LYS880D, LYS896C, LYS896D, LYS897C, LYS897D, PHE879C, PHE879D, PHE884C, PHE884D, PHE901C, PHE901D, PRO839C, PRO839D, SER848C, SER848D, SER857C, SER857D, SER864C, THR836C, THR836D, TRP859C, TRP859D, TYR844C, TYR844D, TYR862C, TYR862D, VAL834C, VAL834D, VAL842C, VAL842D, VAL849C, VAL849D, VAL886D