3JWQ

crystal structure of chimeric pde5/pde6 catalytic domain complexed with sildenafil

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 71
  • Norm. En. per Res.: -1.5445
• 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	-12.1264	-18.8839	-46.0181	-77.0284	70	9	1	3626	2	15	24
A-C	0.0	0.0	-0.044	-0.044	3	0	0	10	0	2	1
A-D	-7.6274	-0.1927	-101.678	-109.4981	71	9	3	5025	0	28	27
B-C	-11.8825	-0.7016	-83.3141	-95.8982	71	11	3	4993	0	26	25
B-D	0.0	0.0	-3.5713	-3.5713	10	0	0	252	0	2	1
C-D	-8.4122	-18.3953	-82.8555	-109.6629	71	4	1	4120	3	18	24

Interface residues

• A-B: ALA673B, ALA726A, ARG597B, ARG667A, ARG731A, ARG740A, ASN662A, ASN694B, ASN698B, ASN742A, ASN745A, ASP687B, ASP724A, ASP748A, CYS677A, CYS677B, GLN666A, GLN674B, GLN688B, GLN699B, GLN743A, GLN751A, GLN799A, GLU536B, GLU669B, GLU734A, GLU737A, GLU753A, GLY697B, GLY733A, HIS678A, HIS678B, HIS683B, HIS684B, HIS750A, ILE680A, ILE692B, ILE706B, ILE729A, LEU672B, LEU675B, LEU690B, LEU713B, LEU725A, LEU727A, LEU738A, LEU754A, LYS604B, LYS710B, LYS714A, LYS717B, LYS730A, LYS741A, MET691B, PHE686B, PHE735A, PHE744A, PHE823A, PRO671B, PRO696B, PRO749A, SER601B, SER663A, SER679A, SER695B, THR711A, TYR676A, TYR676B, TYR709B, TYR728A
• A-C: CYS677C, GLN674A, GLN674C
• A-D: ALA726D, ARG667D, ARG732D, ARG740D, ARG794A, ARG807A, ARG810A, ASN609A, ASN661D, ASN662D, ASN808A, ASP724D, ASP791A, ASP806A, ASP806D, ASP811A, ASP822D, CYS677D, GLN666D, GLN789A, GLN789D, GLN798A, GLN799A, GLN800A, GLN854D, GLU669A, GLU682D, GLU737D, GLU788A, GLU793A, GLU793D, GLU812D, GLU858D, GLY790A, GLY819D, HIS670A, HIS678D, ILE665D, ILE729D, ILE802D, LEU725D, LEU727D, LEU765D, LEU792A, LEU797A, LEU813D, LEU816D, LYS608A, LYS730D, LYS809A, LYS809D, LYS815D, MET804D, MET805D, PHE786D, PHE820D, PHE823D, PRO671A, PRO801A, PRO801D, PRO803D, SER663D, SER668A, THR795A, TRP787A, TYR664A, TYR664D, TYR728D, VAL796A, VAL818D, VAL824D
• B-C: ALA726B, ALA857B, ARG667B, ARG667C, ARG732B, ARG740B, ARG794C, ARG807C, ARG810C, ASN609C, ASN661B, ASN662B, ASN808C, ASP724B, ASP791C, ASP806C, ASP822B, CYS677B, GLN666B, GLN789B, GLN789C, GLN798C, GLN799C, GLN800B, GLN800C, GLN827B, GLU669C, GLU737B, GLU788C, GLU793B, GLU793C, GLU812B, GLY733B, GLY790B, GLY790C, GLY819B, HIS670C, HIS678B, ILE729B, ILE802B, LEU725B, LEU727B, LEU792C, LEU797C, LEU816B, LYS608C, LYS730B, LYS741B, LYS809B, LYS809C, LYS815B, MET804B, MET805B, PHE786B, PHE820B, PHE823B, PRO671C, PRO801B, PRO801C, PRO803B, SER663B, SER668C, THR795C, TRP787C, TYR664B, TYR664C, TYR728B, VAL660B, VAL796C, VAL818B, VAL824B
• B-D: GLN798B, GLN798D, GLN799B, GLN799D, GLN800B, GLN800D, GLU669B, GLU669D, LEU797B, LEU797D
• C-D: ALA673D, ALA726C, ARG597D, ARG667C, ARG731C, ASN662C, ASN694D, ASN698D, ASN742C, ASN745C, ASP687D, ASP724C, ASP748C, CYS677C, CYS677D, GLN666C, GLN666D, GLN674D, GLN688D, GLN699D, GLN718C, GLN743C, GLN751C, GLN799C, GLU669D, GLU734C, GLU737C, GLU753C, GLY697D, GLY733C, HIS678C, HIS678D, HIS683C, HIS683D, HIS684D, HIS750C, ILE680C, ILE692D, ILE706D, ILE729C, LEU672D, LEU675C, LEU675D, LEU690D, LEU693D, LEU713D, LEU725C, LEU727C, LEU738C, LEU754C, LYS604D, LYS710D, LYS714C, LYS717D, LYS730C, LYS741C, MET691D, PHE686D, PHE735C, PHE744C, PRO671D, PRO696D, PRO749C, SER663C, SER679C, SER695D, THR711C, TYR676C, TYR676D, TYR709D, TYR728C