2NTF

crystal structure of a quorum-quenching antibody in complex with an n- acyl-l-homoserine lactone analog

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: L-H
  • Int. Res.: 185
  • Norm. En. per Res.: -3.0378
• Hub Node: L(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
L-H	-15.7933	-44.1332	-502.065	-561.9915	185	14	8	19812	4	21	15
L-A	-7.7572	-15.8953	-133.192	-156.8446	84	17	1	7627	0	2	7
L-B	-2.9084	0.0	-21.6363	-24.5447	27	4	0	777	0	1	1
H-A	-9.4168	0.0	-23.42	-32.8368	31	5	0	949	0	1	1
H-B	-14.171	10.9436	-11.1727	-14.4001	33	3	0	924	0	16	10
A-B	-26.1968	-42.1352	-478.06	-546.392	184	7	8	19297	4	21	15

Interface residues

• L-H: ALA125H, ALA130L, ALA175L, ALA176H, ALA2L, ALA33L, ALA55L, ALA89L, ARG228H, ARG30L, ARG40H, ARG54L, ARG94H, ASN100H, ASN128L, ASN129H, ASN170L, ASN31L, ASN34L, ASN52L, ASN53L, ASN94L, ASP138L, ASP41L, ASP50L, ASP60H, CYS134L, CYS142H, CYS88L, CYS92H, GLN105H, GLN163L, GLN167L, GLN181H, GLN1L, GLN37L, GLN39H, GLN43H, GLN6L, GLU123L, GLU124L, GLU126L, GLU160L, GLU38L, GLU46H, GLU61H, GLY100H, GLY100L, GLY101H, GLY101L, GLY104H, GLY106H, GLY127H, GLY141H, GLY158L, GLY170H, GLY42H, GLY44H, GLY46L, GLY49H, GLY49L, GLY95H, GLY99L, HIS172H, HIS35H, HIS42L, HIS95L, ILE136L, ILE223H, ILE48H, ILE48L, LEU108H, LEU117L, LEU124H, LEU125L, LEU132L, LEU140H, LEU143H, LEU179L, LEU180H, LEU181L, LEU187H, LEU209L, LEU45H, LEU47L, LEU90L, LYS129L, LYS145H, LYS166L, LYS172L, LYS207L, LYS221H, LYS222H, LYS38H, LYS62H, MET159L, MET174L, PHE100H, PHE118L, PHE139L, PHE174H, PHE43L, PHE44L, PHE87L, PHE91H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO175H, PRO41H, PRO56L, SER114L, SER120H, SER121L, SER122L, SER128H, SER165L, SER168L, SER176L, SER177L, SER182H, SER189H, SER190H, SER208L, SER210L, SER93L, SER96H, THR116L, THR127L, THR131L, THR135L, THR137L, THR139H, THR161L, THR162L, THR173H, THR180L, THR182L, THR186H, THR188H, THR192H, THR29L, THR45L, THR50H, THR51L, THR57H, THR93H, TRP100H, TRP103H, TRP186L, TRP33H, TRP35L, TRP36H, TRP47H, TRP91L, TRP96L, TYR100H, TYR102H, TYR122H, TYR173L, TYR178L, TYR32L, TYR58H, TYR59H, TYR86L, TYR92L, VAL115L, VAL121H, VAL133L, VAL138H, VAL144H, VAL171H, VAL177H, VAL191H, VAL226H, VAL36L, VAL37H, VAL3L, VAL58L, VAL85L, VAL89H, VAL97L
• L-A: ALA185A, ALA185L, ALA27A, ALA27L, ALA2A, ALA2L, ARG188A, ARG188L, ARG30A, ARG30L, ASN31A, ASN31L, ASN94A, ASN94L, ASP147A, ASP147L, ASP151A, ASP151L, GLN157A, GLN157L, GLN1A, GLN1L, GLY152A, GLY152L, GLY158A, GLY158L, GLY27A, GLY27L, HIS189A, HIS189L, HIS95A, HIS95L, LEU179A, LEU179L, LEU181A, LEU181L, LYS149A, LYS149L, MET159A, MET159L, PRO154A, PRO154L, SER191A, SER191L, SER25A, SER25L, SER26A, SER26L, SER93A, SER93L, THR153A, THR153L, THR156A, THR156L, THR180A, THR180L, THR182A, THR27A, THR27L, THR28A, THR28L, THR29A, THR29L, TRP148A, TRP148L, TRP91A, TRP91L, TRP96A, TRP96L, TYR192A, TYR32A, TYR32L, TYR92A, TYR92L, VAL150A, VAL150L, VAL155A, VAL155L, VAL27A, VAL27L, VAL3A, VAL3L, VAL97A, VAL97L
• L-B: ALA185L, ARG188L, ARG40B, ASN100B, ASN56B, ASP60B, GLN157L, GLN1L, GLN43B, GLU160L, GLU61B, GLU85B, GLY158L, GLY184L, HIS189L, LYS62B, LYS64B, MET159L, PHE63B, THR156L, THR182L, TRP33B, TRP47B, TYR58B, TYR59B, TYR98B, TYR99B
• H-A: ALA185A, ARG188A, ARG40H, ASN100H, ASN56H, ASP60H, GLN157A, GLN1A, GLN43H, GLU160A, GLU61H, GLU85H, GLY158A, GLY184A, HIS189A, LEU181A, LYS62H, LYS64H, MET159A, PHE63H, THR156A, THR180A, THR182A, THR57H, TRP33H, TRP47H, TYR52H, TYR58H, TYR59H, TYR98H, TYR99H
• H-B: ASN65B, ASN65H, ASP183B, ASP183H, ASP86B, ASP86H, GLN181B, GLN181H, GLU61B, GLU61H, GLU85B, GLU85H, GLY15B, GLY15H, LEU82B, LEU82H, LYS62B, LYS62H, LYS64B, LYS64H, LYS66B, LYS66H, PRO14B, PRO14H, SER182B, SER182H, SER82B, SER82H, SER84B, SER84H, THR83B, THR83H, VAL111B
• A-B: ALA125B, ALA130A, ALA175A, ALA176B, ALA2A, ALA33A, ALA55A, ALA89A, ARG228B, ARG30A, ARG40B, ARG54A, ARG94B, ASN100B, ASN128A, ASN129B, ASN170A, ASN31A, ASN34A, ASN52A, ASN53A, ASN94A, ASP138A, ASP41A, ASP50A, ASP60B, CYS134A, CYS142B, CYS88A, GLN105B, GLN163A, GLN167A, GLN181B, GLN1A, GLN37A, GLN39B, GLN43B, GLU123A, GLU124A, GLU126A, GLU160A, GLU38A, GLU46B, GLU61B, GLY100A, GLY100B, GLY101A, GLY101B, GLY104B, GLY106B, GLY127B, GLY141B, GLY158A, GLY170B, GLY42B, GLY44B, GLY46A, GLY49A, GLY49B, GLY57A, GLY95B, GLY99A, HIS172B, HIS35B, HIS42A, HIS95A, ILE136A, ILE223B, ILE48A, ILE48B, LEU108B, LEU117A, LEU124B, LEU125A, LEU132A, LEU140B, LEU143B, LEU179A, LEU180B, LEU181A, LEU187B, LEU209A, LEU45B, LEU47A, LEU90A, LYS129A, LYS145B, LYS166A, LYS172A, LYS207A, LYS221B, LYS222B, LYS38B, LYS62B, MET159A, MET174A, PHE100B, PHE118A, PHE139A, PHE174B, PHE43A, PHE44A, PHE87A, PHE91B, PHE98A, PRO119A, PRO120A, PRO123B, PRO126B, PRO164A, PRO175B, PRO41B, PRO56A, SER114A, SER120B, SER121A, SER122A, SER128B, SER165A, SER168A, SER176A, SER177A, SER182B, SER189B, SER190B, SER208A, SER210A, SER93A, SER96B, THR116A, THR127A, THR131A, THR135A, THR137A, THR139B, THR161A, THR162A, THR173B, THR180A, THR182A, THR186B, THR188B, THR192B, THR29A, THR45A, THR50B, THR51A, THR57B, THR93B, TRP100B, TRP103B, TRP186A, TRP33B, TRP35A, TRP36B, TRP47B, TRP91A, TRP96A, TYR100B, TYR102B, TYR122B, TYR173A, TYR178A, TYR32A, TYR58B, TYR59B, TYR86A, TYR92A, VAL115A, VAL121B, VAL133A, VAL138B, VAL144B, VAL171B, VAL177B, VAL191B, VAL226B, VAL36A, VAL37B, VAL3A, VAL58A, VAL85A, VAL89B, VAL97A