3BGF

x-ray crystal structure of the sars coronavirus spike receptor binding domain in complex with f26g19 fab

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: S-L
  • Int. Res.: 25
  • Norm. En. per Res.: -3.3782
• Hub Node: S(4)

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
S-A	-22.5097	16.8993	-150.712	-156.3224	89	14	1	5783	2	4	2
S-L	-30.6005	0.0	-53.8551	-84.4556	25	2	0	1794	0	0	0
S-H	-32.8927	-17.9528	-150.902	-201.7476	60	13	2	6290	2	7	7
S-C	0.0	0.0	-0.4117	-0.4117	9	0	0	115	0	1	2
A-L	0.0	0.0	-0.7686	-0.7686	10	0	0	166	0	1	1
A-C	-22.2614	0.0	-54.3985	-76.6599	23	3	0	1750	0	0	0
A-B	-22.7368	0.1062	-144.844	-167.4746	63	11	1	6234	0	7	7
L-H	-15.3264	-22.754	-524.308	-562.3884	189	18	15	20421	1	18	15
C-B	-40.4897	-21.9473	-524.752	-587.189	189	15	15	21013	0	17	14

Interface residues

• S-A: ALA471A, ALA471S, ARG395A, ARG395S, ARG441A, ASN435A, ASN435S, ASN437A, ASN437S, ASN457A, ASN457S, ASN473A, ASN473S, ASN479A, ASN479S, ASP393A, ASP393S, ASP407A, ASP480A, ASP480S, CYS474A, CYS474S, GLN396A, GLN396S, GLU341S, GLY403A, GLY403S, GLY434S, GLY482A, GLY482S, ILE405A, ILE405S, ILE455A, ILE455S, LEU443A, LEU443S, LEU472A, LEU472S, LEU478A, LEU478S, LYS333S, LYS390A, LYS390S, LYS439A, LYS439S, PHE460A, PHE460S, PRO459A, PRO459S, PRO462A, PRO462S, PRO469A, PRO469S, PRO470A, PRO470S, PRO477A, PRO477S, SER456S, SER461A, SER461S, THR402A, THR402S, THR433A, THR468A, THR468S, TRP476A, TRP476S, TYR338A, TYR338S, TYR408A, TYR408S, TYR436A, TYR436S, TYR438A, TYR438S, TYR440A, TYR440S, TYR442A, TYR442S, TYR475A, TYR475S, TYR481A, TYR481S, TYR484A, TYR484S, TYR491A, TYR491S, VAL404A, VAL404S
• S-L: ARG426S, ASN424S, ASP1L, ASP392S, GLN492S, GLN90L, GLY488S, GLY490S, ILE29L, ILE2L, ILE489S, LYS390S, PRO95L, SER30L, SER93L, THR485S, THR486S, THR487S, TRP96L, TYR32L, TYR484S, TYR491S, TYR91L, TYR94L, VAL92L
• S-H: ALA422S, ALA430S, ALA50H, ARG100H, ARG33H, ARG395S, ARG426S, ARG94H, ASN424S, ASN427S, ASN54H, ASP392S, ASP393S, ASP56H, GLN492S, GLN99H, GLU95H, GLY391S, GLY488S, GLY490S, GLY53H, GLY96H, HIS35H, ILE428S, ILE489S, ILE51H, ILE97H, LEU100H, LYS390S, PHE29H, PHE360S, PHE361S, PRO52H, PRO98H, SER358S, SER362S, SER55H, SER74H, THR100H, THR28H, THR30H, THR31H, THR359S, THR363S, THR425S, THR485S, THR486S, THR487S, THR57H, THR58H, THR73H, TRP423S, TRP47H, TYR32H, TYR491S, TYR494S, TYR52H, TYR59H, VAL389S, VAL394S
• S-C: ARG66C, GLU28C, GLY68C, PRO459S, PRO466S, SER30C, THR468S, TYR32C, VAL458S
• A-L: ARG66L, GLU28L, GLY68L, PRO459A, PRO466A, PRO469A, SER30L, THR468A, TYR32L, VAL458A
• A-C: ARG426A, ASN424A, ASP1C, ASP392A, GLN492A, GLY488A, GLY490A, ILE29C, ILE489A, LYS390A, PRO95C, SER30C, SER93C, THR485A, THR486A, THR487A, TRP96C, TYR32C, TYR484A, TYR491A, TYR91C, TYR94C, VAL92C
• A-B: ALA422A, ALA430A, ALA50B, ARG100B, ARG33B, ARG395A, ARG426A, ARG94B, ASN424A, ASN427A, ASN54B, ASP392A, ASP393A, ASP429A, ASP56B, GLN492A, GLN99B, GLU95B, GLY391A, GLY488A, GLY490A, GLY53B, GLY96B, HIS35B, ILE428A, ILE489A, ILE97B, LEU100B, LYS365A, LYS390A, MET34B, PHE29B, PHE360A, PHE361A, PRO493A, PRO52B, PRO98B, SER358A, SER362A, SER55B, SER74B, THR100B, THR28B, THR30B, THR31B, THR359A, THR363A, THR425A, THR485A, THR486A, THR487A, THR57B, THR58B, THR73B, TRP423A, TRP47B, TYR32B, TYR491A, TYR494A, TYR52B, TYR59B, VAL389A, VAL394A
• L-H: ALA125H, ALA130L, ALA170H, ALA50H, ALA50L, ALA51L, ARG100H, ARG33H, ARG40H, ARG46L, ARG94H, ASN137L, ASN138L, ASN157L, ASN161L, ASN210L, ASN212L, ASN60H, ASP101H, ASP165L, ASP167L, ASP170L, ASP1L, ASP41L, ASP55L, ASP56H, ASP85L, CYS128H, CYS134L, CYS142H, CYS88L, CYS92H, GLN105H, GLN124L, GLN173H, GLN37L, GLN39H, GLN43H, GLN61H, GLN90L, GLN99H, GLU123L, GLU213H, GLU38L, GLU46H, GLU95H, GLY100L, GLY101L, GLY104H, GLY106H, GLY129L, GLY141H, GLY146H, GLY158L, GLY164H, GLY31L, GLY42H, GLY42L, GLY44H, GLY49H, GLY96H, GLY99L, HIS166H, HIS35H, ILE117L, ILE212H, ILE29L, ILE37H, ILE44L, ILE48H, ILE48L, LEU100H, LEU124H, LEU125L, LEU136L, LEU140H, LEU143H, LEU160L, LEU172H, LEU176H, LEU179H, LEU179L, LEU181L, LEU33L, LEU36L, LEU45H, LEU47L, LEU89L, LYS103L, LYS145H, LYS169L, LYS207L, LYS210H, LYS211H, LYS38H, LYS45L, LYS62H, MET175L, MET34H, PHE118L, PHE135L, PHE139L, PHE168H, PHE209L, PHE63H, PHE91H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO169H, PRO95L, PRO98H, SER116L, SER120H, SER121L, SER122L, SER127L, SER131L, SER137H, SER162H, SER162L, SER163H, SER174H, SER174L, SER176L, SER177L, SER180H, SER181H, SER182H, SER208L, SER30L, SER34L, SER52L, SER56L, SER93L, THR100H, THR114L, THR126L, THR139H, THR164L, THR167H, THR172L, THR178H, THR178L, THR180L, THR184H, THR43L, THR53L, THR57H, THR58H, THR93H, THR97L, TRP103H, TRP156H, TRP163L, TRP35L, TRP36H, TRP47H, TRP96L, TYR102H, TYR122H, TYR173L, TYR177H, TYR192L, TYR32L, TYR49L, TYR52H, TYR59H, TYR86L, TYR87L, TYR90H, TYR91L, TYR94L, VAL115L, VAL121H, VAL127H, VAL132L, VAL133L, VAL138H, VAL144H, VAL159L, VAL165H, VAL171H, VAL183H, VAL208H, VAL89H, VAL92L
• C-B: ALA125B, ALA130C, ALA170B, ALA50B, ALA50C, ALA51C, ARG100B, ARG211C, ARG33B, ARG40B, ARG46C, ARG94B, ASN137C, ASN138C, ASN161C, ASN210C, ASN60B, ASP101B, ASP165C, ASP167C, ASP170C, ASP1C, ASP41C, ASP55C, ASP85C, CYS128B, CYS134C, CYS142B, CYS88C, CYS92B, GLN105B, GLN124C, GLN173B, GLN37C, GLN39B, GLN43B, GLN61B, GLN90C, GLN99B, GLU123C, GLU213B, GLU38C, GLU46B, GLU95B, GLY100C, GLY101C, GLY104B, GLY106B, GLY128C, GLY129C, GLY141B, GLY146B, GLY158C, GLY164B, GLY31C, GLY42B, GLY42C, GLY44B, GLY49B, GLY96B, GLY99C, HIS166B, HIS35B, ILE117C, ILE212B, ILE29C, ILE37B, ILE44C, ILE48B, ILE48C, ILE51B, LEU100B, LEU124B, LEU125C, LEU136C, LEU140B, LEU143B, LEU160C, LEU172B, LEU176B, LEU179B, LEU179C, LEU181C, LEU33C, LEU36C, LEU45B, LEU47C, LEU89C, LYS103C, LYS145B, LYS169C, LYS207C, LYS210B, LYS211B, LYS38B, LYS45C, LYS62B, MET175C, MET34B, PHE118C, PHE135C, PHE139C, PHE168B, PHE209C, PHE91B, PHE98C, PRO119C, PRO120C, PRO123B, PRO126B, PRO169B, PRO95C, PRO98B, SER116C, SER120B, SER121C, SER122C, SER127C, SER131C, SER137B, SER162C, SER163B, SER174B, SER174C, SER176C, SER177C, SER180B, SER181B, SER182B, SER208C, SER30C, SER34C, SER52C, SER56C, SER93C, THR100B, THR114C, THR126C, THR139B, THR164C, THR167B, THR172C, THR178B, THR178C, THR180C, THR184B, THR43C, THR53C, THR57B, THR58B, THR93B, THR97C, TRP103B, TRP156B, TRP163C, TRP190B, TRP35C, TRP36B, TRP47B, TRP96C, TYR102B, TYR122B, TYR173C, TYR177B, TYR192C, TYR32B, TYR32C, TYR49C, TYR52B, TYR59B, TYR86C, TYR87C, TYR90B, TYR91C, TYR94C, VAL115C, VAL121B, VAL127B, VAL132C, VAL133C, VAL138B, VAL144B, VAL159C, VAL165B, VAL171B, VAL183B, VAL208B, VAL89B, VAL92C