2VC5

structural basis for natural lactonase and promiscuous phosphotriesterase activities

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 148
  • Norm. En. per Res.: -4.1492
• Hub Node: A(1)

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	-76.2636	27.7705	-565.586	-614.0792	148	19	3	20168	0	22	33
B-C	-12.0523	-14.0036	-13.4579	-39.5137	27	1	0	917	0	21	21
C-D	-38.257	28.8246	-532.471	-541.9034	145	19	3	19236	0	22	33

Interface residues

• A-B: ALA139A, ALA139B, ALA266A, ALA266B, ALA31A, ALA31B, ARG109A, ARG109B, ARG26A, ARG26B, ARG33A, ARG33B, ARG74A, ARG74B, ARG77A, ARG77B, ASN108A, ASN108B, ASP101A, ASP101B, ASP116A, ASP116B, ASP121A, ASP121B, ASP141A, ASP141B, ASP262A, ASP262B, ASP75A, ASP75B, GLN127A, GLN127B, GLN34A, GLN34B, GLN35A, GLN35B, GLU113A, GLU113B, GLU124A, GLU124B, GLU269A, GLU269B, GLU30A, GLU30B, GLY125A, GLY125B, GLY128A, GLY128B, GLY264A, GLY264B, GLY71A, GLY71B, GLY73A, GLY73B, GLY93A, GLY93B, GLY95A, GLY95B, HIS120A, HIS120B, HIS170A, HIS38A, HIS38B, ILE100A, ILE100B, ILE114A, ILE114B, ILE119A, ILE126A, ILE126B, ILE261A, ILE261B, ILE76A, ILE76B, ILE96A, ILE96B, ILE98A, ILE98B, LEU102A, LEU102B, LEU107A, LEU107B, LEU117A, LEU117B, LEU274A, LEU274B, LEU39A, LEU39B, LEU72A, LEU72B, LYS267A, LYS267B, LYS273A, MET70A, MET70B, MET79B, PHE104A, PHE104B, PHE106A, PHE106B, PHE118A, PHE118B, PHE28A, PHE28B, PRO103A, PRO103B, PRO143A, PRO143B, PRO268A, PRO268B, PRO37A, PRO37B, SER110A, SER110B, SER29A, SER29B, THR129A, THR129B, THR265A, THR265B, THR68A, THR68B, THR94A, THR94B, TRP263A, TRP263B, TRP36A, TRP36B, TYR105A, TYR105B, TYR270A, TYR270B, TYR40A, TYR40B, TYR97A, TYR97B, TYR99A, TYR99B, VAL136A, VAL136B, VAL152A, VAL152B, VAL27A, VAL27B, VAL32A, VAL32B, VAL69A, VAL69B
• B-C: ARG154C, ARG183C, ARG2B, GLU12B, GLU150C, GLU162B, GLU180C, GLU187C, GLU188C, GLY189C, ILE111C, ILE184C, LEU179C, LEU185C, LYS123B, LYS132B, LYS147C, LYS14B, LYS161B, LYS161C, LYS164B, LYS211C, LYS215C, MET1B, THR163B, THR186C, VAL190C
• C-D: ALA139D, ALA266C, ALA266D, ALA31C, ALA31D, ARG109C, ARG109D, ARG26C, ARG26D, ARG33C, ARG33D, ARG74C, ARG74D, ARG77C, ARG77D, ASN108C, ASN108D, ASP101C, ASP101D, ASP116C, ASP116D, ASP121C, ASP121D, ASP141C, ASP141D, ASP262C, ASP262D, ASP75C, ASP75D, GLN127C, GLN127D, GLN34C, GLN34D, GLN35C, GLN35D, GLU113C, GLU113D, GLU124C, GLU124D, GLU269C, GLU269D, GLU30C, GLU30D, GLY125C, GLY125D, GLY128C, GLY128D, GLY264C, GLY264D, GLY71C, GLY71D, GLY73C, GLY73D, GLY93C, GLY93D, GLY95C, GLY95D, HIS120C, HIS120D, HIS170C, HIS170D, HIS38C, HIS38D, ILE100C, ILE100D, ILE114C, ILE114D, ILE119C, ILE119D, ILE126C, ILE126D, ILE261C, ILE261D, ILE76C, ILE76D, ILE96C, ILE96D, ILE98C, ILE98D, LEU102C, LEU102D, LEU107C, LEU107D, LEU117C, LEU117D, LEU39C, LEU39D, LEU72C, LEU72D, LYS267C, LYS267D, MET70C, MET70D, PHE104C, PHE104D, PHE106C, PHE106D, PHE118C, PHE118D, PHE28C, PHE28D, PRO103C, PRO103D, PRO143C, PRO143D, PRO268C, PRO268D, PRO37C, PRO37D, SER110C, SER110D, SER29C, SER29D, THR129C, THR129D, THR265C, THR265D, THR68C, THR68D, THR94C, THR94D, TRP263C, TRP263D, TRP36C, TRP36D, TYR105C, TYR105D, TYR270C, TYR270D, TYR40C, TYR40D, TYR97C, TYR97D, TYR99C, TYR99D, VAL136C, VAL136D, VAL152C, VAL152D, VAL27C, VAL27D, VAL32C, VAL32D, VAL69C, VAL69D