1YNK

identification of key residues of the nc6.8 fab antibody fragment binding to synthetic sweeteners: crystal structure of nc6.8 co-crystalized with high potency sweetener compound sc45647

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: L-H
  • Int. Res.: 199
  • Norm. En. per Res.: -2.7417
• Hub Node: L(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
L-H	-27.9473	-6.5312	-511.113	-545.5914	199	23	6	19515	3	25	13

Interface residues

• L-H: ALA124H, ALA130L, ALA167H, ARG211L, ARG50L, ARG56H, ARG60H, ARG94H, ASN137L, ASN138L, ASN161L, ASN210L, ASN212L, ASN28L, ASN30L, ASN53L, ASN58H, ASP100H, ASP129H, ASP165L, ASP167L, ASP170L, CYS127H, CYS134L, CYS139H, CYS214L, CYS88L, CYS92H, GLN104H, GLN124L, GLN170H, GLN38L, GLN42L, GLN90L, GLU123L, GLU1L, GLU210H, GLU213L, GLU35H, GLU39H, GLU46H, GLU50H, GLU61H, GLU6H, GLY100L, GLY101L, GLY103H, GLY105H, GLY126H, GLY128H, GLY129L, GLY138H, GLY158L, GLY213H, GLY41L, GLY42H, GLY44H, GLY49H, GLY57L, GLY91L, GLY95H, GLY99L, HIS163H, HIS34L, HIS43H, HIS93L, ILE117L, ILE34H, ILE48H, ILE48L, LEU123H, LEU125L, LEU136L, LEU137H, LEU140H, LEU158H, LEU160L, LEU168H, LEU169H, LEU173H, LEU179L, LEU181L, LEU209H, LEU2L, LEU33L, LEU37L, LEU45H, LEU46L, LEU47L, LYS142H, LYS169L, LYS207H, LYS207L, LYS208H, LYS38H, LYS39L, LYS45L, LYS62H, LYS64H, MET175L, MET176H, MET99H, PHE118L, PHE135L, PHE139L, PHE165H, PHE209L, PHE55L, PHE63H, PHE87L, PHE98L, PRO119L, PRO120L, PRO122H, PRO125H, PRO166H, PRO211H, PRO214H, PRO44L, PRO95L, SER116L, SER119H, SER121L, SER122L, SER127L, SER131L, SER134H, SER159H, SER160H, SER161H, SER162L, SER168L, SER171H, SER174L, SER176L, SER177H, SER177L, SER178H, SER179H, SER208L, SER212H, SER43L, SER56L, SER89L, SER97H, SER98H, THR114L, THR126L, THR136H, THR164H, THR164L, THR172L, THR175H, THR178L, THR180L, THR181H, THR31L, THR57H, THR92L, THR93H, THR97L, TRP102H, TRP153H, TRP163L, TRP187H, TRP33H, TRP35L, TRP36H, TRP47H, TYR101H, TYR121H, TYR173L, TYR174H, TYR192L, TYR32L, TYR36L, TYR49L, TYR59H, TYR86L, TYR90H, TYR91H, TYR96H, TYR96L, VAL115L, VAL120H, VAL132L, VAL133L, VAL135H, VAL141H, VAL159L, VAL162H, VAL180H, VAL2H, VAL37H, VAL3L, VAL51L, VAL85L, VAL89H, VAL94L