3QCU

crystal structure of the lt3015 antibody fab fragment in complex with lysophosphatidic acid (14:0)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: H-L
  • Int. Res.: 191
  • Norm. En. per Res.: -2.9109
• Hub Node: H(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
H-L	-47.0717	-22.3768	-486.524	-555.9725	191	14	12	18578	2	23	16
H-I	-4.135	0.0	-52.8659	-57.0009	48	9	3	2567	0	2	4
H-M	-23.7156	0.0	-42.2161	-65.9317	29	4	1	1351	0	1	0
L-I	-37.8577	0.0	-38.4526	-76.3103	28	4	1	1392	0	1	0
L-M	0.0	-18.6283	-10.3589	-28.9872	15	1	0	484	2	15	13
I-M	-32.4642	-19.4457	-484.716	-536.6259	188	12	11	18277	1	24	15

Interface residues

• H-L: ALA125H, ALA130L, ALA136H, ALA137H, ALA168H, ALA93H, ARG142L, ARG38H, ARG94H, ARG95H, ASN100H, ASN137L, ASN138L, ASN28L, ASN30L, ASN53L, ASN58H, ASN60H, ASN62H, ASP101H, ASP122L, ASP144H, ASP167L, ASP170L, ASP1L, CYS134L, CYS140H, CYS88L, CYS92H, GLN100L, GLN105H, GLN124L, GLN160L, GLN166L, GLN171H, GLN38L, GLN39H, GLN42L, GLN43H, GLN6H, GLN6L, GLN90L, GLU123L, GLU161L, GLU165L, GLU213L, GLU35H, GLU46H, GLU61H, GLY100H, GLY101L, GLY104H, GLY106H, GLY139H, GLY157L, GLY162H, GLY41L, GLY42H, GLY44H, GLY49H, GLY97H, GLY99L, HIS164H, HIS27L, HIS34L, HIS93L, ILE117L, ILE37H, ILE48H, ILE48L, ILE51H, LEU124H, LEU125L, LEU135L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU175L, LEU178H, LEU179L, LEU181L, LEU33H, LEU33L, LEU37L, LEU45H, LEU46L, LEU47L, LEU50H, LYS103L, LYS126L, LYS143H, LYS169L, LYS209H, LYS214H, LYS39L, LYS45L, LYS50L, MET40H, MET89H, PHE100H, PHE116L, PHE118L, PHE122H, PHE139L, PHE166H, PHE209L, PHE55L, PHE63H, PHE87L, PHE91H, PHE94L, PHE96H, PHE96L, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO40L, PRO44L, PRO95L, SER100H, SER114L, SER120H, SER121L, SER127H, SER127L, SER128H, SER131L, SER159L, SER161H, SER162L, SER168L, SER172H, SER173H, SER174L, SER176L, SER177H, SER177L, SER179H, SER180H, SER186H, SER43L, SER56L, SER89L, SER91L, THR129L, THR135H, THR164L, THR165H, THR172L, THR178L, THR180L, THR183H, THR31L, THR57H, THR92L, THR97L, TRP103H, TRP35L, TRP36H, TRP47H, TYR100H, TYR102H, TYR173L, TYR176H, TYR32L, TYR36L, TYR49L, TYR56H, TYR59H, TYR86L, TYR98H, TYR99H, VAL115L, VAL121H, VAL132L, VAL133L, VAL142H, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL184H, VAL207H, VAL211H, VAL85L
• H-I: ALA24H, ALA24I, ALA9H, ALA9I, ASN100H, GLN105H, GLN105I, GLN23H, GLN23I, GLN3H, GLN3I, GLN6H, GLN6I, GLU1H, GLU1I, GLY100H, GLY104H, GLY104I, GLY106H, GLY106I, GLY26H, GLY26I, GLY8H, GLY8I, LEU4H, LEU4I, LYS201H, LYS201I, LYS206I, PHE100H, PHE25H, PHE25I, PRO149H, SER100H, SER21H, SER21I, SER7H, SER7I, THR151H, THR77H, THR77I, TRP103I, TYR27H, TYR27I, VAL2H, VAL2I, VAL5H, VAL5I
• H-M: ALA158H, ARG61M, ASN155H, ASN53M, ASP60M, GLU1H, GLY157H, GLY162H, GLY41M, GLY57M, LEU159H, LEU54M, PHE55M, PHE62M, PRO59M, SER153H, SER156H, SER161H, SER52M, SER56M, SER63M, SER76M, THR151H, THR160H, TRP154H, TYR49M, VAL163H, VAL182H, VAL58M
• L-I: ALA158I, ARG61L, ASN155I, ASN53L, ASP60L, GLY157I, GLY162I, GLY57L, LEU159I, LEU54L, PHE55L, PHE62L, PRO59L, SER153I, SER156I, SER161I, SER52L, SER56L, SER63L, SER76L, THR151I, THR160I, TRP154I, TYR49L, VAL152I, VAL163I, VAL182I, VAL58L
• L-M: ALA80M, ARG61L, ARG61M, ARG77L, ARG77M, GLU79L, GLU79M, GLU81L, GLU81M, GLY16M, LYS169L, LYS169M, PRO59L, SER168L, SER168M
• I-M: ALA125I, ALA130M, ALA136I, ALA137I, ALA168I, ALA93I, ARG142M, ARG38I, ARG94I, ARG95I, ASN100I, ASN137M, ASN138M, ASN28M, ASN30M, ASN53M, ASN58I, ASN60I, ASN62I, ASP101I, ASP122M, ASP144I, ASP167M, ASP170M, ASP1M, CYS134M, CYS140I, CYS88M, CYS92I, GLN100M, GLN105I, GLN124M, GLN160M, GLN166M, GLN171I, GLN38M, GLN39I, GLN42M, GLN43I, GLN6I, GLN6M, GLN90M, GLU123M, GLU161M, GLU165M, GLU213M, GLU35I, GLU46I, GLU61I, GLY100I, GLY101M, GLY104I, GLY106I, GLY133I, GLY134I, GLY139I, GLY157M, GLY162I, GLY41M, GLY42I, GLY44I, GLY49I, GLY97I, GLY99M, HIS164I, HIS27M, HIS34M, HIS93M, ILE117M, ILE37I, ILE48I, ILE48M, ILE51I, LEU124I, LEU125M, LEU135M, LEU136M, LEU138I, LEU141I, LEU170I, LEU175I, LEU175M, LEU178I, LEU179M, LEU181M, LEU33I, LEU33M, LEU37M, LEU45I, LEU46M, LEU47M, LEU50I, LYS103M, LYS126M, LYS143I, LYS169M, LYS209I, LYS214I, LYS45M, LYS50M, MET89I, PHE100I, PHE116M, PHE118M, PHE122I, PHE139M, PHE166I, PHE209M, PHE55M, PHE87M, PHE91I, PHE94M, PHE96I, PHE96M, PHE98M, PRO119M, PRO120M, PRO123I, PRO126I, PRO167I, PRO44M, PRO95M, SER100I, SER114M, SER120I, SER121M, SER127I, SER127M, SER131M, SER159M, SER161I, SER162M, SER168M, SER172I, SER173I, SER174M, SER176M, SER177I, SER177M, SER179I, SER180I, SER43M, SER56M, SER89M, SER91M, THR129M, THR135I, THR164M, THR165I, THR172M, THR178M, THR180M, THR183I, THR31M, THR57I, THR92M, THR97M, TRP103I, TRP35M, TRP36I, TRP47I, TYR100I, TYR102I, TYR173M, TYR176I, TYR32M, TYR36M, TYR49M, TYR56I, TYR59I, TYR86M, TYR98I, TYR99I, VAL115M, VAL121I, VAL132M, VAL133M, VAL142I, VAL163I, VAL163M, VAL169I, VAL181I, VAL182I, VAL184I, VAL207I, VAL211I, VAL51M, VAL85M