Fluorine in PDB 8kih: Phma, A Type I Diterpene Synthase Without Nst/Dte Motif

The structure of Phma, A Type I Diterpene Synthase Without Nst/Dte Motif, PDB code: 8kih was solved by B.Zhang, H.M.Ge, A.Zhu, Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.88 / 2.00
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	106.549, 106.549, 55.36, 90, 90, 120
R / Rfree (%)	19.3 / 23.7

The structure of Phma, A Type I Diterpene Synthase Without Nst/Dte Motif also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Phma, A Type I Diterpene Synthase Without Nst/Dte Motif (pdb code 8kih). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Phma, A Type I Diterpene Synthase Without Nst/Dte Motif, PDB code: 8kih:

Fluorine binding site 1 out of 1 in the Phma, A Type I Diterpene Synthase Without Nst/Dte Motif


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Phma, A Type I Diterpene Synthase Without Nst/Dte Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:51.9 occ:1.00 F01 A:FGG401 0.0 51.9 1.0 C02 A:FGG401 1.4 49.8 1.0 C03 A:FGG401 2.4 41.9 1.0 C01 A:FGG401 2.4 50.6 1.0 O01 A:FGG401 2.5 63.9 1.0 C04 A:FGG401 2.9 35.8 1.0 C05 A:FGG401 3.1 30.7 1.0 OD2 A:ASP93 3.4 32.4 1.0 CD1 A:LEU90 3.5 41.2 1.0 O03 A:FGG401 3.5 71.0 1.0 P02 A:FGG401 3.5 99.5 1.0 C16 A:FGG401 3.7 36.9 1.0 C06 A:FGG401 3.8 34.1 1.0 HA A:LEU90 3.9 30.7 1.0 O07 A:FGG401 3.9 70.7 1.0 O05 A:FGG401 4.0 46.4 1.0 MG A:MG402 4.1 53.9 1.0 CG A:ASP93 4.2 29.5 1.0 CB A:ASP93 4.3 30.5 1.0 P04 A:FGG401 4.4 65.5 1.0 MG A:MG403 4.6 32.5 1.0 HB2 A:ASP93 4.6 36.5 1.0 OD1 A:ASP94 4.7 42.6 1.0 CG A:LEU90 4.8 37.9 1.0 CA A:LEU90 4.8 25.6 1.0 O06 A:FGG401 4.8 61.0 1.0 HB2 A:LEU90 4.8 28.9 1.0 O A:HOH541 4.8 29.1 1.0 HZ A:PHE153 4.9 25.0 1.0 O09 A:FGG401 4.9 67.8 1.0

L.Zhang, B.Zhang, A.Zhu, S.H.Liu, R.Wu, X.Zhang, Z.R.Xu, H.M.Ge. Biosynthesis of Platelet Activating Factor Antagonist Phomactins Revealing A New Class of Type I Diterpene Synthase To Be Published.