Table 3 Molecular docking of OBP2a with 14 odorants

2-Methylisoborneol

2-MIB

− 3.80

H-bond

Arg 55

Geosmin

GSM

− 4.15

H-bond

Arg 55

2-Isobutyl-3-methoxy pyrazine

IBMP

− 4.87

H-bond, pi–pi stacking

Lys 112, Phe 97

Bis(2-chloro-1-methylethyl) ether

DCIP

− 3.08

–

–

Dimethyl disulfide

DMDS

− 3.04

–

–

Dimethyl trisulfide

DMTS

− 4.19

–

–

2-Ethyl-4-methyl-1,3-dioxolane

2E4MDL

− 5.55

–

–

Hexanal

–

− 3.92

H-bond

Lys 112

Heptanal

–

− 4.36

H-bond

Lys 112

Benzaldehyde

–

− 5.63

H-bond, pi–pi stacking

Lys 112, Phe 97

2-Octenal

–

− 4.73

H-bond

Lys 112

Decanal

–

− 4.15

H-bond

Lys 112

β-Cyclocitral

–

− 6.61

H-bond

Lys 112

Undecanal

–

− 3.70

H-bond

Lys 112