Fluorine in PDB 6mlf: Crystal Structure of X. Citri Phosphoglucomutase in Complex with 6- Fluoro Glucose 1-Phosphate

The structure of Crystal Structure of X. Citri Phosphoglucomutase in Complex with 6- Fluoro Glucose 1-Phosphate, PDB code: 6mlf 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)	46.33 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.730, 54.800, 173.550, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23.8

The structure of Crystal Structure of X. Citri Phosphoglucomutase in Complex with 6- Fluoro Glucose 1-Phosphate 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 6- Fluoro Glucose 1-Phosphate (pdb code 6mlf). 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 6- Fluoro Glucose 1-Phosphate, PDB code: 6mlf:

Fluorine binding site 1 out of 1 in the Crystal Structure of X. Citri Phosphoglucomutase in Complex with 6- Fluoro Glucose 1-Phosphate


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 6- Fluoro Glucose 1-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:51.6 occ:0.82 F07 A:JV4501 0.0 51.6 0.8 C06 A:JV4501 1.4 51.4 0.8 C05 A:JV4501 2.3 47.2 0.8 O08 A:JV4501 2.8 47.0 0.8 C03 A:JV4501 3.0 38.2 0.8 O4 A:JV4501 3.6 30.2 0.8 O A:HOH931 3.7 41.3 1.0 NE2 A:HIS324 3.8 29.6 1.0 CE1 A:HIS324 3.8 29.5 1.0 C09 A:JV4501 4.1 39.1 0.8 C02 A:JV4501 4.3 37.3 0.8 C15 A:JV4501 4.4 42.0 0.8 ND1 A:HIS324 4.6 31.1 1.0 CD2 A:HIS324 4.6 31.7 1.0 O10 A:JV4501 4.9 37.0 0.8

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