3L24

crystal structure of the nerve agent degrading organophosphate anhydrolase/prolidase in complex with inhibitors

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 53
  • Norm. En. per Res.: -3.8784
• Hub Node: A(2)

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	-28.2123	-60.0073	-117.337	-205.5566	53	4	1	3814	5	34	33
A-C	-13.4523	-41.158	-58.5061	-113.1163	47	1	0	2556	6	43	34
B-C	-22.0038	-47.6841	-87.073	-156.761	50	8	0	3334	4	45	37

Interface residues

• A-B: ALA287B, ALA350A, ALA374B, ARG169B, ARG18A, ARG25A, ARG370A, ASN151A, ASN284B, ASN375B, ASP428B, GLN162B, GLN285B, GLU21A, GLU24A, GLU26A, GLU294B, GLU373A, GLU427B, GLU431B, GLU436B, GLY289B, GLY347A, HIS154A, HIS156A, HIS426B, ILE22A, ILE372B, ILE423B, ILE424B, LEU165B, LEU286B, LEU291A, LEU430B, LEU7B, LYS17A, LYS290B, LYS371A, LYS371B, LYS3B, MET283B, MET349A, PHE152A, PHE348A, PRO148A, PRO288B, SER429B, THR369A, TYR153A, TYR155A, TYR159A, VAL425B, VAL6B
• A-C: ALA287A, ALA374A, ARG169A, ARG18C, ARG25C, ARG370C, ASN151C, ASN27C, ASN284A, ASN375A, ASP428A, GLN162A, GLN285A, GLU21C, GLU24C, GLU26C, GLU294A, GLU373C, GLU427A, GLU431A, GLY289A, GLY289C, HIS154C, HIS156C, HIS426A, ILE22C, ILE424A, LEU165A, LEU291A, LEU291C, LEU430A, LEU7A, LYS17C, LYS290A, LYS371A, LYS371C, LYS3A, PHE152C, PRO148C, PRO288A, SER429A, THR369C, TYR153C, TYR155C, TYR159C, VAL425A, VAL6A
• B-C: ALA166C, ALA374C, ARG169C, ARG18B, ARG20B, ARG25B, ARG370B, ASN151B, ASN27B, ASN375C, ASP428C, CYS167C, GLN162C, GLU10C, GLU21B, GLU24B, GLU26B, GLU373B, GLU427C, GLU431C, GLU436C, GLY289C, HIS154B, HIS156B, HIS426C, ILE22B, ILE23B, ILE424C, LEU165C, LEU430C, LEU4C, LEU7C, LYS173C, LYS17B, LYS290C, LYS371B, LYS371C, LYS3C, PHE152B, PRO148B, PRO288C, SER429C, THR75B, TYR153B, TYR155B, TYR159B, TYR163C, VAL149B, VAL425C, VAL6C