3NMD

crystal structure of the leucine zipper domain of cgmp dependent protein kinase i beta

• Total interactions analyzed: 10
• Total true interactions: 8
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 101
  • Norm. En. per Res.: -4.8009
• 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	-45.9412	-46.5806	-344.732	-437.2538	95	9	28	15624	7	50	57
A-C	-6.3231	-24.7259	-58.546	-89.595	28	1	0	2026	3	12	13
A-D	0.0	0.0	-0.0067	-0.0067	4	0	0	10	0	2	3
B-C	0.0	8.4462	-10.659	-2.2128	20	0	1	697	0	4	6
B-D	-21.3736	16.8957	-47.7879	-52.2659	22	4	0	1832	1	8	16
C-D	-39.9555	-76.5389	-368.397	-484.8914	101	16	27	16097	9	48	55
C-E	0.0	0.0	-9.7157	-9.7157	15	0	0	428	2	6	5
D-E	-29.484	-100.8391	-134.043	-264.3661	69	9	0	4859	10	32	51

Interface residues

• A-B: ALA10A, ALA10B, ALA23A, ALA23B, ARG19A, ARG19B, ARG21A, ARG21B, ARG50A, ARG50B, ARG5A, ARG5B, ASN44A, ASN44B, ASP22A, ASP22B, ASP26A, ASP26B, ASP33A, ASP33B, ASP36A, ASP36B, ASP47A, ASP47B, ASP6A, ASP6B, GLN12A, GLN12B, GLN20A, GLN20B, GLN34A, GLN34B, GLN40A, GLN40B, GLN43A, GLN43B, GLN8A, GLN8B, GLU13A, GLU13B, GLU16A, GLU16B, GLU17A, GLU17B, GLU27A, GLU27B, GLU29A, GLU29B, GLU31A, GLU31B, GLU37A, GLU37B, GLU45A, GLU45B, GLY2A, ILE15A, ILE15B, ILE25A, ILE25B, ILE39A, ILE39B, ILE53A, LEU11A, LEU11B, LEU18A, LEU18B, LEU24A, LEU24B, LEU28A, LEU28B, LEU30A, LEU30B, LEU32A, LEU32B, LEU38A, LEU38B, LEU42A, LEU42B, LEU46A, LEU46B, LEU4A, LEU4B, LEU7A, LEU7B, LYS14A, LYS14B, LYS35A, LYS35B, LYS48A, LYS48B, SER3A, TYR49A, TYR49B, TYR9A, TYR9B
• A-C: ARG50A, ARG54A, ASN44A, ASN44C, ASP26C, ASP33C, ASP36A, ASP36C, ASP47A, GLN34C, GLN40A, GLN40C, GLN43A, GLU27C, GLU29C, GLU31C, GLU37C, GLU45A, ILE39A, ILE39C, LEU30C, LEU32C, LEU38C, LEU42A, LEU46A, LYS35C, LYS48A, SER51A
• A-D: GLN43A, GLN43D, ILE39A, ILE39D
• B-C: ASN44B, ASN44C, GLN34B, GLN34C, GLN40B, GLU37B, GLU37C, GLU45B, GLU45C, ILE39B, ILE39C, LEU38B, LEU38C, LEU42B, LEU42C, LYS35B, LYS35C, LYS48B, LYS48C, TYR49C
• B-D: ARG50D, ASN44D, ASP33B, ASP36B, ASP36D, ASP47D, GLN34B, GLN40B, GLN40D, GLN43D, GLU27B, GLU31B, GLU37B, GLU45D, ILE39B, ILE39D, LEU30B, LEU32B, LEU38B, LEU42D, LEU46D, LYS35B
• C-D: ALA10C, ALA10D, ALA23C, ALA23D, ARG19C, ARG19D, ARG1C, ARG21C, ARG21D, ARG50C, ARG50D, ARG5C, ARG5D, ASN44C, ASN44D, ASP22C, ASP22D, ASP26C, ASP26D, ASP33C, ASP33D, ASP36C, ASP36D, ASP47C, ASP47D, ASP6C, ASP6D, GLN12C, GLN12D, GLN20C, GLN20D, GLN34C, GLN34D, GLN40C, GLN40D, GLN43C, GLN43D, GLN8C, GLN8D, GLU13C, GLU13D, GLU16C, GLU16D, GLU17C, GLU17D, GLU27C, GLU27D, GLU29C, GLU29D, GLU31C, GLU31D, GLU37C, GLU37D, GLU45C, GLU45D, GLY2C, GLY2D, ILE15C, ILE15D, ILE25C, ILE25D, ILE39C, ILE39D, ILE53C, LEU11C, LEU11D, LEU18C, LEU18D, LEU24C, LEU24D, LEU28C, LEU28D, LEU30C, LEU30D, LEU32C, LEU32D, LEU38C, LEU38D, LEU42C, LEU42D, LEU46C, LEU46D, LEU4C, LEU4D, LEU7C, LEU7D, LYS14C, LYS14D, LYS35C, LYS35D, LYS48C, LYS48D, SER3C, SER3D, SER51C, SER51D, TYR49C, TYR49D, TYR9C, TYR9D, VAL52C
• C-E: ARG19E, ARG50C, ARG5E, ASP6E, GLN20E, GLN43C, GLU13E, GLU16E, ILE39C, LEU32C, LEU42C, LEU46C, LEU4E, SER3E, TYR9E
• D-E: ALA23D, ALA23E, ARG19D, ARG19E, ARG21D, ARG21E, ARG5D, ARG5E, ASN44E, ASP22D, ASP26D, ASP26E, ASP33D, ASP33E, ASP6D, ASP6E, GLN12D, GLN12E, GLN20D, GLN20E, GLN34D, GLN34E, GLN40E, GLN43D, GLN43E, GLN8E, GLU13D, GLU13E, GLU16D, GLU16E, GLU17D, GLU17E, GLU27D, GLU27E, GLU29D, GLU29E, GLU31D, GLU31E, GLU37D, GLU37E, GLU45D, GLU45E, GLY2D, ILE15D, ILE15E, ILE39D, ILE39E, LEU11D, LEU24D, LEU24E, LEU28D, LEU28E, LEU30D, LEU30E, LEU32D, LEU32E, LEU38D, LEU38E, LEU42D, LEU42E, LEU46E, LYS14D, LYS35D, LYS35E, LYS48E, TYR49D, TYR49E, TYR9D, TYR9E