1C1J

structure of cadmium-substituted phospholipase a2 from agkistrondon halys pallas at 2.8 angstroms resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 82
  • Norm. En. per Res.: -2.9458
• 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	0.0	2.0837	-46.1683	-44.0846	32	6	5	3202	0	2	12
A-C	0.0	-11.3789	-24.3159	-35.6948	31	5	2	1691	0	8	11
A-D	-19.951	21.4216	-153.026	-151.5555	71	10	0	6458	1	29	22
B-C	-56.5099	-53.4288	-131.614	-241.5527	82	19	0	6429	3	31	26
B-D	-5.8468	-12.2557	-38.8509	-56.9533	29	3	0	2151	1	15	20
C-D	0.0	7.8328	-71.8171	-63.9843	39	9	5	4080	0	3	13

Interface residues

• A-B: ALA119A, ALA119B, ALA23B, ARG116A, ARG116B, ASP122A, ASP122B, GLU17A, GLU17B, ILE124A, ILE124B, LEU125A, LEU125B, LYS115A, LYS115B, MET118A, MET118B, PHE24A, PHE24B, PRO121A, PRO121B, SER21A, SER21B, TYR113A, TYR117A, TYR117B, TYR120A, TYR120B, VAL19A, VAL19B, VAL20A, VAL20B
• A-C: ALA119C, ALA23A, ALA23C, ARG6A, ARG6C, CB9.71741-14.00814, GLU17A, GLU17C, HIS1A, HIS1A5, HIS1C, LEU2A, LEU2C, LEU3A, LEU3C, LYS10A, LYS10C, LYS16C, LYS7A, MET118C, PHE24A, PHE24C, PRO18A, PRO18C, SER21C, TRP70A, TRP70C, VAL19A, VAL19C, VAL20A, VAL20C
• A-D: ALA23A, ALA23D, ARG34A, ARG34D, ASP122A, ASP122D, ASP49A, ASP49D, ASP67A, ASP67D, ASP71D, CYS126A, CYS126D, CYS133A, CYS133D, CYS27A, CYS27D, CYS61A, CYS61D, GLU131A, GLU131D, GLU53A, GLU53D, GLY30A, GLY30D, GLY32A, GLY32D, GLY33A, GLY33D, GLY35A, GLY35D, GLY59A, GLY59D, ILE124A, ILE124D, LEU125A, LEU125D, LEU2A, LEU2D, LYS129A, LYS129D, LYS132A, LYS132D, LYS54A, LYS54D, LYS69A, LYS69D, PHE24D, PRO121A, PRO121D, PRO68A, PRO68D, SER127A, SER127D, SER128A, SER128D, SER130A, SER130D, SER31A, SER31D, THR56A, THR56D, TRP70A, TRP70D, TYR120A, TYR120D, TYR28D, TYR52A, TYR52D, VAL55A, VAL55D
• B-C: ALA23C, ARG34B, ARG34C, ASP122B, ASP122C, ASP49B, ASP49C, ASP67B, ASP67C, ASP71B, ASP71C, CYS126B, CYS126C, CYS133B, CYS133C, CYS27B, CYS27C, CYS45B, CYS50B, CYS50C, CYS51B, CYS51C, CYS61B, CYS61C, GLU131B, GLU131C, GLU53B, GLU53C, GLU94B, GLY30B, GLY30C, GLY32B, GLY32C, GLY33B, GLY33C, GLY35B, GLY35C, GLY59B, GLY59C, HIS48B, ILE124B, ILE124C, LEU125B, LEU125C, LEU2B, LEU2C, LYS129B, LYS129C, LYS132B, LYS132C, LYS36B, LYS36C, LYS54B, LYS54C, LYS69B, LYS69C, PHE24C, PHE46B, PRO121B, PRO121C, PRO68B, PRO68C, SER127B, SER127C, SER128B, SER128C, SER130B, SER130C, SER31B, SER31C, THR56B, THR56C, TRP70B, TRP70C, TYR120C, TYR28B, TYR28C, TYR52B, TYR52C, VAL47B, VAL55B, VAL55C
• B-D: ALA23D, ARG6B, ARG6D, ASP67B, ASP72B, GLN4B, GLU17B, GLU17D, HIS1B, HIS1D, LEU2B, LEU2D, LEU3B, LEU3D, LYS10B, LYS10D, LYS69B, LYS7B, LYS7D, PHE24B, PHE24D, PRO18B, PRO18D, TRP70B, TRP70D, VAL19B, VAL19D, VAL20B, VAL20D
• C-D: ALA119C, ALA119D, ALA23D, ARG116C, ARG116D, ASP122C, ASP122D, CYS126C, GLU17D, ILE124C, ILE124D, LEU125C, LEU125D, LYS114C, LYS115C, LYS115D, LYS38C, MET118C, MET118D, PHE24C, PHE24D, PRO121C, PRO121D, PRO18D, SER21C, SER21D, TYR113C, TYR113D, TYR117C, TYR117D, TYR120C, TYR120D, TYR22D, TYR25C, TYR25D, VAL19C, VAL19D, VAL20C, VAL20D