Fluorine in PDB 6mlw: Crystal Structure of X. Citri Phosphoglucomutase in Complex with 2- Fluoro Mannosyl-1-Methyl-Phosphonic Acid

The structure of Crystal Structure of X. Citri Phosphoglucomutase in Complex with 2- Fluoro Mannosyl-1-Methyl-Phosphonic Acid, PDB code: 6mlw was solved by L.Beamer, K.Stiers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.44 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.781, 54.587, 172.909, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 24.9

The structure of Crystal Structure of X. Citri Phosphoglucomutase in Complex with 2- Fluoro Mannosyl-1-Methyl-Phosphonic Acid also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of X. Citri Phosphoglucomutase in Complex with 2- Fluoro Mannosyl-1-Methyl-Phosphonic Acid (pdb code 6mlw). 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 Crystal Structure of X. Citri Phosphoglucomutase in Complex with 2- Fluoro Mannosyl-1-Methyl-Phosphonic Acid, PDB code: 6mlw:

Fluorine binding site 1 out of 1 in the Crystal Structure of X. Citri Phosphoglucomutase in Complex with 2- Fluoro Mannosyl-1-Methyl-Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of X. Citri Phosphoglucomutase in Complex with 2- Fluoro Mannosyl-1-Methyl-Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:35.0 occ:0.90 F2 A:JVA502 0.0 35.0 0.9 C2 A:JVA502 1.4 48.1 0.9 C1 A:JVA502 2.4 51.6 0.9 C3 A:JVA502 2.5 49.5 0.9 O A:HOH897 2.7 33.0 1.0 O A:HOH1117 2.9 42.5 1.0 O5 A:JVA502 3.1 60.8 0.9 O3 A:JVA502 3.1 38.6 0.9 O A:HOH861 3.1 24.2 1.0 C4 A:JVA502 3.1 51.4 0.9 OG A:SER322 3.3 29.2 1.0 NE2 A:HIS324 3.4 25.9 1.0 C7 A:JVA502 3.6 50.7 0.9 C5 A:JVA502 3.7 53.4 0.9 CB A:SER322 3.7 29.1 1.0 CD2 A:HIS324 3.9 25.0 1.0 O1P A:JVA502 4.4 40.2 0.9 O4 A:JVA502 4.5 42.7 0.9 CE1 A:HIS324 4.5 22.4 1.0 P A:JVA502 4.6 47.6 0.9 NH1 A:ARG280 4.6 39.0 1.0 O A:HOH779 4.7 39.9 1.0 O A:SER322 4.7 26.3 1.0 NH2 A:ARG280 4.8 36.6 1.0 C6 A:JVA502 4.9 49.1 0.9 O6 A:JVA502 4.9 44.4 0.9 O A:HOH639 4.9 25.4 1.0

J.S.Zhu, K.M.Stiers, E.Soleimani, B.R.Groves, L.J.Beamer, D.L.Jakeman. Inhibitory Evaluation of Alpha Pmm/Pgm Frompseudomonas Aeruginosa: Chemical Synthesis, Enzyme Kinetics, and Protein Crystallographic Study. J.Org.Chem. V. 84 9627 2019.
ISSN: ISSN 0022-3263
PubMed: 31264865
DOI: 10.1021/ACS.JOC.9B01305