3MVJ

human cyclic amp-dependent protein kinase pka inhibitor complex

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-J
  • Int. Res.: 95
  • Norm. En. per Res.: -5.0872
• Hub Node: A(5)

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	-14.1686	-11.6662	-52.536	-78.3708	56	4	2	3577	1	11	17
A-E	0.0	0.0	-34.0409	-34.0409	19	1	1	1373	0	7	6
A-I	0.0	2.5944	-48.5111	-45.9167	29	3	1	2502	0	6	1
A-J	-77.8315	-119.8001	-285.65	-483.2816	95	16	3	10831	9	33	20
A-K	0.0	0.0	-17.9855	-17.9855	24	0	1	1024	0	8	11
B-E	0.0	-36.6542	-14.9541	-51.6083	20	0	0	547	0	12	9
B-J	0.0	0.0	-60.636	-60.636	32	4	6	3067	0	2	1
B-K	-46.4216	-79.769	-253.348	-379.5386	81	13	5	9530	8	29	23
E-I	-74.3718	-112.642	-237.078	-424.0919	85	9	3	9475	10	32	19
E-J	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	3	6
E-K	0.0	9.0497	-0.8358	8.2139	8	0	0	121	0	2	5

Interface residues

• A-B: ALA312A, ARG133A, ARG134A, ARG137A, ASP241B, ASP328A, ASP329A, CYS199B, GLN176A, GLN177A, GLN242B, GLN245B, GLN84B, GLU311A, GLY136A, GLY200B, GLY234A, GLY52B, HIS131A, HIS142A, HIS260A, ILE135A, ILE210B, ILE244B, ILE246B, ILE315A, LEU132A, LEU198B, LEU205B, LEU211B, LEU82B, LYS317A, LYS319A, LYS78B, LYS81B, LYS83B, PHE129A, PHE314A, PHE318A, PHE54B, PRO202B, PRO236A, PRO243B, PRO313A, PRO316A, SER130A, SER212B, SER53B, THR201B, THR51B, TRP196B, TYR235A, TYR247B, TYR330A, VAL310A, VAL80B
• A-E: ARG133E, ARG134E, ARG137E, ASP241A, ASP328E, GLN242A, GLN245A, GLU248A, GLY136E, GLY234E, HIS131E, ILE135E, ILE244A, LEU132E, PHE129E, PRO243A, SER130E, TYR235E, TYR247A
• A-I: ALA12I, ALA240A, ALA8I, ARG18I, ARG256A, ASP241A, ASP9I, GLN242A, GLN245A, GLU248A, GLY17I, ILE11I, ILE244A, ILE246A, ILE250A, LYS249A, LYS254A, PHE10I, PHE238A, PHE239A, PRO243A, SER13I, SER252A, THR16I, THR5I, THR6I, TYR247A, TYR7I, VAL251A
• A-J: ALA12J, ALA21J, ALA233A, ALA240A, ALA8J, ARG133A, ARG134A, ARG137A, ARG15J, ARG165A, ARG18J, ARG19J, ARG256A, ARG56A, ASN171A, ASN20J, ASP166A, ASP184A, ASP241A, ASP24J, ASP328A, ASP9J, CYS199A, GLN242A, GLN245A, GLN84A, GLU127A, GLU170A, GLU203A, GLU230A, GLY136A, GLY14J, GLY17J, GLY186A, GLY200A, GLY234A, GLY50A, GLY52A, GLY55A, HIS23J, HIS260A, HIS87A, ILE11J, ILE135A, ILE209A, ILE210A, ILE22J, ILE244A, ILE246A, LEU132A, LEU167A, LEU173A, LEU198A, LEU205A, LEU227A, LEU49A, LEU82A, LYS168A, LYS249A, LYS81A, LYS83A, PHE10J, PHE129A, PHE187A, PHE238A, PHE239A, PHE257A, PHE327A, PHE54A, PRO169A, PRO202A, PRO236A, PRO237A, PRO243A, PRO258A, SER130A, SER13J, SER259A, SER53A, THR16J, THR183A, THR201A, THR48A, THR51A, THR5J, THR6J, TYR204A, TYR215A, TYR229A, TYR235A, TYR247A, TYR330A, TYR7J, VAL226A, VAL57A
• A-K: ALA21K, ARG133A, ARG134A, ARG137A, ARG15K, ARG18K, ASN20K, ASP24K, ASP328A, ASP329A, GLY136A, GLY14K, HIS131A, HIS142A, HIS23K, ILE135A, ILE22K, LYS317A, LYS319A, PHE138A, PHE314A, PRO313A, SER139A, SER325A
• B-E: ARG256B, ARG336E, ARG56E, ASP329E, GLN245B, GLU331E, GLU332E, GLU333E, GLU334E, HIS260B, LYS249B, LYS254B, LYS78E, PHE238B, PHE239B, PHE257B, PRO237B, PRO258B, SER259B, VAL255B
• B-J: ALA12J, ALA8J, ARG15J, ARG18J, ASP9J, GLN242B, GLN245B, GLU248B, GLY14J, GLY17J, ILE11J, ILE209B, ILE210B, ILE244B, ILE246B, ILE250B, LEU198B, LEU211B, LYS213B, LYS249B, PHE10J, PRO207B, PRO243B, SER13J, SER212B, SER252B, THR16J, THR5J, THR6J, TYR247B, TYR7J, VAL251B
• B-K: ALA12K, ALA21K, ALA233B, ALA240B, ALA8K, ARG133B, ARG134B, ARG137B, ARG15K, ARG165B, ARG18K, ARG19K, ARG256B, ASN171B, ASN20K, ASP166B, ASP184B, ASP241B, ASP24K, ASP9K, CYS199B, GLN242B, GLN245B, GLN84B, GLU127B, GLU170B, GLU203B, GLU230B, GLU86B, GLY136B, GLY14K, GLY17K, GLY186B, GLY200B, GLY234B, HIS23K, HIS260B, HIS87B, ILE11K, ILE135B, ILE209B, ILE210B, ILE22K, ILE244B, ILE246B, LEU132B, LEU167B, LEU198B, LEU205B, LEU227B, LEU82B, LYS168B, LYS249B, LYS83B, PHE10K, PHE129B, PHE187B, PHE238B, PHE239B, PHE257B, PHE54B, PRO169B, PRO202B, PRO236B, PRO237B, PRO243B, PRO258B, SER130B, SER13K, SER259B, SER53B, THR16K, THR201B, THR5K, THR6K, TYR204B, TYR229B, TYR235B, TYR247B, TYR7K, VAL226B
• E-I: ALA12I, ALA21I, ALA233E, ALA240E, ALA8I, ARG133E, ARG134E, ARG137E, ARG15I, ARG165E, ARG18I, ARG19I, ARG256E, ASN171E, ASN20I, ASP166E, ASP184E, ASP241E, ASP24I, ASP328E, ASP9I, CYS199E, GLN242E, GLN84E, GLU127E, GLU170E, GLU203E, GLU230E, GLY136E, GLY14I, GLY17I, GLY200E, GLY234E, GLY50E, GLY52E, HIS23I, HIS260E, HIS87E, ILE11I, ILE135E, ILE209E, ILE210E, ILE22I, ILE246E, LEU132E, LEU167E, LEU173E, LEU198E, LEU205E, LEU227E, LEU49E, LEU82E, LYS168E, LYS249E, LYS83E, PHE10I, PHE129E, PHE187E, PHE238E, PHE239E, PHE257E, PHE327E, PHE54E, PRO169E, PRO202E, PRO236E, PRO237E, PRO243E, PRO258E, SER130E, SER13I, SER53E, THR16I, THR201E, THR51E, THR5I, THR6I, TYR204E, TYR229E, TYR235E, TYR247E, TYR330E, TYR7I, VAL226E, VAL57E
• E-J: ARG134E, ARG15J
• E-K: ARG45E, ASP9K, GLU331E, GLU332E, GLU333E, GLU334E, THR5K, THR6K