3FVI

crystal structure of complex of phospholipase a2 with octyl sulfates

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 34
  • Norm. En. per Res.: -2.8824
• 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	-11.0969	13.2715	-32.0094	-29.8348	33	4	0	1446	0	1	7
A-C	-9.2041	-52.6112	-36.1867	-98.002	34	1	1	1479	4	7	10
A-D	0.0	0.0	-4.1462	-4.1462	17	0	0	427	0	4	6
B-C	0.0	-5.8444	-71.2221	-77.0665	50	4	1	3362	0	13	15
B-D	-2.3452	-14.9408	-27.9397	-45.2258	35	0	1	1423	4	7	6
C-D	0.0	17.1487	-201.022	-183.8733	97	13	5	8651	0	22	19

Interface residues

• A-B: ALA1A, ARG6A, ARG6B, ASN79A, ASN79B, CYS11A, CYS11B, CYS77A, CYS77B, GLN4A, GLY15B, HIS17A, HIS17B, ILE13B, LEU19A, LEU2A, LYS10A, LYS10B, PRO14B, SER16B, SER72A, SER76A, SER78A, SER78B, SER7A, SER7B, THR80A, THR80B, THR83A, TRP3A, TRP3B, TYR75A, TYR75B
• A-C: ARG53A, ARG6A, ARG6C, ASN117C, ASN23C, ASN24C, ASN67A, ASP119C, ASP21C, ASP66A, GLY15C, GLY32A, GLY33A, HIS17C, LEU118C, LEU19C, LEU31A, LYS10C, LYS116C, LYS121A, LYS56A, MET20C, PHE22C, PRO14C, PRO18C, PRO68A, SER16C, SER7C, THR120A, THR70A, TRP3A, TRP3C, TYR69A, VAL65A
• A-D: ASN117A, ASN23A, ASN24A, ASN89D, ASP119A, ASP66D, GLU92D, LEU118A, LEU19A, LEU31A, LYS121A, LYS62D, MET20A, PHE63D, SER72D, THR120A, VAL65D
• B-C: ALA1C, ALA90C, ARG6B, ASN117B, ASN23B, ASN24B, ASN67C, ASN85C, ASN88C, ASN89C, ASP119B, ASP21B, ASP66C, CYS61C, CYS91C, GLN4C, GLU114B, GLU71C, GLU92C, GLY15B, GLY30B, HIS17B, LEU118B, LEU19B, LEU2C, LEU31B, LEU64C, LYS10B, LYS113B, LYS116B, LYS121B, LYS62C, LYS87C, MET20B, PHE22B, PHE63C, PRO18B, PRO68C, SER16B, SER60C, SER72C, SER74C, THR120B, THR70C, TRP3C, TYR111B, TYR69C, TYR73C, TYR75C, VAL65C
• B-D: ARG6B, ARG6D, ASN117D, ASN23B, ASN23D, ASN24D, ASN67B, ASP119D, ASP21D, ASP66B, GLY15D, GLY30B, GLY32B, HIS17D, LEU19B, LEU19D, LEU2B, LEU2D, LEU31B, LYS10D, LYS116D, LYS121B, LYS56B, MET20D, PRO14D, PRO18D, PRO68B, SER16D, SER7D, THR70B, THR70D, TRP3B, TRP3D, TYR69B, VAL65B
• C-D: ALA55C, ALA55D, ALA90C, ALA90D, ARG53C, ARG53D, ASN117C, ASN117D, ASN23C, ASN23D, ASN24C, ASN24D, ASN57C, ASN57D, ASN67C, ASN67D, ASP119C, ASP119D, ASP49C, ASP49D, ASP54C, ASP54D, ASP59C, ASP59D, ASP66C, ASP66D, CYS124C, CYS124D, CYS27C, CYS27D, CYS29C, CYS29D, CYS61C, CYS61D, CYS91C, CYS91D, GLU71C, GLU71D, GLY30C, GLY30D, GLY32C, GLY32D, GLY33C, GLY33D, GLY35C, GLY35D, HIS48C, HIS48D, ILE95C, ILE95D, LEU118C, LEU118D, LEU19C, LEU19D, LEU2C, LEU2D, LEU31C, LEU31D, LEU58C, LEU58D, LEU64C, LEU64D, LYS116C, LYS116D, LYS121C, LYS121D, LYS122C, LYS122D, LYS56C, LYS56D, LYS62C, LYS62D, MET20D, PHE22C, PHE22D, PHE5C, PHE5D, PHE63C, PHE63D, PRO68C, PRO68D, SER34C, SER34D, SER60C, SER60D, THR120C, THR120D, THR70C, THR70D, TYR28C, TYR28D, TYR52C, TYR52D, TYR69C, TYR69D, VAL65C, VAL65D