3PNZ

crystal structure of the lactonase lmo2620 from listeria monocytogenes

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 75
  • Norm. En. per Res.: -3.5249
• 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-C	-29.057	-14.1674	-167.387	-210.6114	69	4	1	5823	5	35	23
A-E	-23.6106	-7.2063	-115.275	-146.0919	63	2	1	5329	0	30	37
A-F	-41.0566	-8.8759	-167.739	-217.6716	71	8	1	5898	5	36	23
B-D	-42.9039	-53.3172	-168.145	-264.3661	75	5	1	5907	5	36	23
B-E	-19.439	-7.4073	-162.649	-189.4953	67	2	1	5745	4	35	23
C-F	-30.6225	-14.3393	-167.856	-212.8178	70	4	1	5869	5	36	24
D-E	-56.3104	-14.6291	-165.825	-236.7644	69	7	1	5878	5	36	23

Interface residues

• A-C: ALA190A, ALA241C, ALA246C, ALA250A, ALA250C, ALA253C, ALA303C, ARG218A, ARG251C, ARG275C, ARG298C, ASN160A, ASN219A, ASP221A, ASP301C, ASP39C, GLN227A, GLU166A, GLU167A, GLU189A, GLU196A, GLU199A, GLU248C, GLU302C, GLU305C, GLY191A, GLY283C, GLY285C, GLY287C, HIS225A, HIS284C, ILE162A, ILE240C, ILE243C, ILE252C, ILE300C, LEU165A, LEU195A, LEU220A, LYS226A, LYS230A, LYS242C, LYS244C, LYS276C, LYS280C, LYS294C, LYS306C, MET161A, MET193A, PHE299C, PRO164A, PRO222A, PRO247C, PRO286C, PRO297C, SER249C, THR163A, THR192A, THR277C, TRP295C, TYR159A, TYR223A, TYR224A, TYR245C, TYR257A, TYR278C, TYR279C, TYR282C, TYR290C
• A-E: ALA12A, ALA323A, ALA79E, ARG324A, ARG5A, ARG73E, ARG74E, ASN137E, ASN141E, ASN205A, ASP10A, ASP115E, ASP320A, ASP77E, CYS325A, GLN15A, GLN80E, GLU108E, GLU144E, GLU14A, GLU209A, GLU46E, GLU84E, GLY114E, GLY142E, GLY145E, GLY232A, GLY9A, HIS177A, HIS178A, ILE112E, ILE113E, ILE11A, ILE206A, ILE4A, LEU109E, LEU143E, LEU208A, LEU76E, LYS106E, LYS110E, LYS181A, LYS230A, LYS329A, LYS330A, LYS45E, LYS83E, PHE234A, PHE328A, PHE3A, PRO107E, PRO111E, PRO13A, PRO147E, PRO207A, SER2A, THR146E, THR231A, THR327A, TYR148E, TYR210A, TYR8E, VAL75E
• A-F: ALA190F, ALA241A, ALA246A, ALA246F, ALA250A, ALA250F, ALA253A, ALA303A, ARG218F, ARG251A, ARG275A, ARG298A, ASN160F, ASN219F, ASN304A, ASP221F, ASP301A, ASP39A, GLN227F, GLU166F, GLU167F, GLU189F, GLU196F, GLU248A, GLU289A, GLU302A, GLU305A, GLY191F, GLY283A, GLY285A, GLY287A, HIS225F, HIS284A, ILE162F, ILE240A, ILE243A, ILE252A, ILE300A, LEU165F, LEU195F, LEU220F, LYS226F, LYS230F, LYS242A, LYS244A, LYS276A, LYS280A, LYS294A, LYS306A, MET161F, MET193F, PHE299A, PRO164F, PRO222F, PRO247A, PRO286A, PRO297A, SER249A, THR163F, THR192F, THR277A, TYR159F, TYR223F, TYR224F, TYR245A, TYR245F, TYR257F, TYR278A, TYR279A, TYR282A, TYR290A
• B-D: ALA190D, ALA241B, ALA246B, ALA246D, ALA250B, ALA250D, ALA253B, ALA303B, ARG218D, ARG251B, ARG275B, ARG298B, ASN160D, ASN219D, ASN304B, ASP221D, ASP301B, ASP39B, GLN227D, GLU166D, GLU167D, GLU189D, GLU196D, GLU199D, GLU248B, GLU289B, GLU302B, GLU305B, GLY191D, GLY239B, GLY283B, GLY285B, GLY287B, HIS225D, HIS284B, ILE162D, ILE240B, ILE243B, ILE252B, ILE300B, LEU165D, LEU195D, LEU220D, LYS226D, LYS230D, LYS242B, LYS244B, LYS276B, LYS280B, LYS294B, LYS306B, MET161D, MET193D, PHE299B, PRO164D, PRO222D, PRO247B, PRO286B, PRO297B, SER249B, THR163D, THR192D, THR277B, TRP295B, TYR159D, TYR223D, TYR224D, TYR245B, TYR245D, TYR257D, TYR278B, TYR279B, TYR282B, TYR290B, VAL296B
• B-E: ALA190B, ALA241E, ALA246E, ALA250B, ALA250E, ALA253E, ALA303E, ARG218B, ARG251E, ARG275E, ARG298E, ASN160B, ASN219B, ASP221B, ASP301E, ASP39E, GLN227B, GLU166B, GLU167B, GLU189B, GLU196B, GLU199B, GLU248E, GLU302E, GLU305E, GLY191B, GLY283E, GLY285E, GLY287E, HIS225B, HIS284E, ILE162B, ILE240E, ILE243E, ILE252E, ILE300E, LEU165B, LEU195B, LEU220B, LYS226B, LYS230B, LYS242E, LYS244E, LYS276E, LYS280E, LYS294E, LYS306E, MET161B, MET193B, PHE299E, PRO164B, PRO222B, PRO247E, PRO286E, PRO297E, SER249E, THR163B, THR192B, THR277E, TYR159B, TYR223B, TYR224B, TYR245E, TYR278E, TYR279E, TYR282E, TYR290E
• C-F: ALA190C, ALA241F, ALA246C, ALA246F, ALA250C, ALA250F, ALA253F, ALA303F, ARG218C, ARG251F, ARG275F, ARG298F, ASN160C, ASN219C, ASP221C, ASP301F, ASP39F, GLN227C, GLU166C, GLU167C, GLU189C, GLU196C, GLU199C, GLU248F, GLU289F, GLU302F, GLU305F, GLY191C, GLY283F, GLY285F, GLY287F, HIS225C, HIS284F, ILE162C, ILE240F, ILE243F, ILE252F, ILE300F, LEU165C, LEU195C, LEU220C, LYS226C, LYS230C, LYS242F, LYS244F, LYS276F, LYS280F, LYS294F, LYS306F, MET161C, MET193C, PHE299F, PRO164C, PRO222C, PRO247F, PRO286F, PRO297F, SER249F, THR163C, THR192C, THR277F, TYR159C, TYR223C, TYR224C, TYR245F, TYR257C, TYR278F, TYR279F, TYR282F, TYR290F
• D-E: ALA190E, ALA241D, ALA246D, ALA250D, ALA250E, ALA253D, ALA303D, ARG218E, ARG251D, ARG275D, ARG298D, ASN160E, ASN219E, ASP221E, ASP301D, ASP39D, GLN227E, GLU166E, GLU167E, GLU189E, GLU196E, GLU199E, GLU248D, GLU289D, GLU302D, GLU305D, GLY191E, GLY283D, GLY285D, GLY287D, HIS225E, HIS284D, ILE162E, ILE240D, ILE243D, ILE252D, ILE300D, LEU165E, LEU195E, LEU220E, LYS226E, LYS230E, LYS242D, LYS244D, LYS276D, LYS280D, LYS294D, LYS306D, MET161E, MET193E, PHE299D, PRO164E, PRO222E, PRO247D, PRO286D, PRO297D, SER249D, THR163E, THR192E, THR277D, TYR159E, TYR223E, TYR224E, TYR245D, TYR257E, TYR278D, TYR279D, TYR282D, TYR290D