Table 2.

Summary of predicted interactions between selected ligands and amino acid residues of the FPR1 receptor within 4.5Å

Ligands	Functional groups	Interacting residues on FPR1
fMIFL	N-Formyl group (CHO)	Hydrogen bonding between formyl oxygen and R2015.38.
	Methionine (M1).	Carbonyl oxygen of methionine (M1) forms hydrogen bonding with R2055.42.
		Possible to form hydrogen bond between amide nitrogen of methionine (M1) and D1063.33.
		Methionine (M1) is surrounded by a hydrophobic pocket formed by L1093.36, F1103.37, V1133.40, W2546.48 and Q2586.52.
	Isoleucine (I2).	Nitrogen atom of isoleucine (I2) may form hydrogen bond with D1063.33.
		Isoleucine (I2) is surrounded by a hydrophobic environment formed by F812.60, V1053.32, F2917.43.
	Phenylalanine (F3).	The arene ring of phenylalanine (F3) forms hydrophobic interaction with T2656.59.
	Leucine (L4).	Leucine (L4) is surrounded by a hydrophobic cap formed by R842.63, F1023.29, F178ECL2.
fMLF	N-Formyl group (CHO).	Hydrogen bonding between formyl oxygen and R2015.38.
	Methionine (M1).	Carbonyl oxygen of methionine (M1) forms hydrogen bonding with R2055.42.
		Possible to form hydrogen bond between amide nitrogen of methionine (M1) and D1063.33.
	Leucine (L2).	Nitrogen atom of leucine (L2) may form hydrogen bond with D1063.33.
		Leucine (L2) is surrounded by a hydrophobic pocket formed by F812.60, V1053.32 and L1093.36.
	Phenylalanine (F3).	Hydrophobic interaction with F1023.29, T2656.59, and I268ECL3.
WKYMVm	D-Met (m6).	The C-terminal D-Met (m6) interacts with R2055.42 to form hydrogen bond. The amide group of D-Met oscillates between D1063.33 and R2055.42.
	The overall ligand.	WKYMVm is surrounded by F1023.29, L1093.36, F178ECL2, and T2656.59.
AG-14	The overall ligand.	Multiple contacts including formation of hydrogen bonds with R2055.42 and R842.63.Hydrophobic interactions between AG-14 and R2015.38, W2546.48, Y2576.51 and F2917.43.
Cpd17b	The overall ligand.	Multiple contacts with the FPR1 binding pocket, including D1063.33, R2015.38 and R2055.42.