Fluorine in PDB 8pem: Zika Methyltransferase in Complex with at-9010 and Sah

All present enzymatic activity of Zika Methyltransferase in Complex with at-9010 and Sah:
2.1.1.56; 2.1.1.57; 2.7.7.48;

The structure of Zika Methyltransferase in Complex with at-9010 and Sah, PDB code: 8pem was solved by K.Krejcova, E.Boura, M.Klima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.38 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.556, 41.016, 69.035, 90, 96.25, 90
R / Rfree (%)	22.8 / 26.2

The structure of Zika Methyltransferase in Complex with at-9010 and Sah also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Zika Methyltransferase in Complex with at-9010 and Sah (pdb code 8pem). 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 Zika Methyltransferase in Complex with at-9010 and Sah, PDB code: 8pem:

Fluorine binding site 1 out of 1 in the Zika Methyltransferase in Complex with at-9010 and Sah


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Zika Methyltransferase in Complex with at-9010 and Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:27.3 occ:1.00 F4 A:AT9301 0.0 27.3 1.0 C2' A:AT9301 1.4 28.1 1.0 C1' A:AT9301 2.4 34.6 1.0 C3' A:AT9301 2.4 23.9 1.0 C3 A:AT9301 2.4 29.6 1.0 O3' A:AT9301 2.7 27.5 1.0 C4' A:AT9301 2.8 24.5 1.0 NZ A:LYS19 3.0 19.7 1.0 O4' A:AT9301 3.0 29.6 1.0 O A:HOH405 3.2 34.8 1.0 O A:SER157 3.3 16.5 1.0 CA A:SER158 3.3 28.1 1.0 C A:SER157 3.5 17.6 1.0 N A:SER158 3.5 23.1 1.0 N9 A:AT9301 3.6 39.2 1.0 OD1 A:ASN23 3.9 34.2 1.0 CB A:SER158 4.1 21.4 1.0 O A:HOH419 4.1 14.4 1.0 CE A:LYS19 4.2 19.6 1.0 C5' A:AT9301 4.3 25.2 1.0 C A:SER158 4.3 20.8 1.0 C4 A:AT9301 4.5 32.1 1.0 O A:SER158 4.5 17.1 1.0 CA A:SER157 4.5 14.4 1.0 CD2 A:LEU22 4.6 16.6 1.0 N3 A:AT9301 4.6 30.6 1.0 C8 A:AT9301 4.6 35.2 1.0 N A:SER157 4.7 21.4 1.0 O A:HOH471 5.0 24.1 1.0

K.Krejcova, E.Boura, M.Klima. Crystal Structure of Zika Methyltransferase in Complex with at-9010 and Sah To Be Published.