Fluorine in PDB 4xm6: Anthrax Toxin Lethal Factor with Ligand-Induced Binding Pocket

All present enzymatic activity of Anthrax Toxin Lethal Factor with Ligand-Induced Binding Pocket:
3.4.24.83;

The structure of Anthrax Toxin Lethal Factor with Ligand-Induced Binding Pocket, PDB code: 4xm6 was solved by K.M.Maize, T.De La Mora-Rey, B.C.Finzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.38 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.936, 76.922, 138.576, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.6

The structure of Anthrax Toxin Lethal Factor with Ligand-Induced Binding Pocket also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Fluorine atom in the Anthrax Toxin Lethal Factor with Ligand-Induced Binding Pocket (pdb code 4xm6). 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 Anthrax Toxin Lethal Factor with Ligand-Induced Binding Pocket, PDB code: 4xm6:

Fluorine binding site 1 out of 1 in the Anthrax Toxin Lethal Factor with Ligand-Induced Binding Pocket


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Anthrax Toxin Lethal Factor with Ligand-Induced Binding Pocket within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:62.0 occ:1.00 F24 A:41R801 0.0 62.0 1.0 C21 A:41R801 1.3 60.4 1.0 C20 A:41R801 2.4 58.4 1.0 C22 A:41R801 2.4 54.8 1.0 C25 A:41R801 2.7 61.1 1.0 CA A:GLY683 2.9 45.7 1.0 C A:GLY683 3.6 44.0 1.0 CD1 A:LEU668 3.6 42.3 1.0 N A:GLY683 3.6 44.6 1.0 C19 A:41R801 3.6 59.4 1.0 C23 A:41R801 3.6 55.1 1.0 O A:ASP680 3.7 41.2 1.0 CG A:LYS656 3.8 48.7 1.0 CA A:ASP680 3.9 51.5 1.0 N A:PHE684 4.0 39.0 1.0 O A:ASN679 4.0 58.1 1.0 C18 A:41R801 4.1 57.2 1.0 C A:ASP680 4.2 48.0 1.0 O A:GLY683 4.3 40.8 1.0 CD1 A:LEU677 4.4 60.3 1.0 CG A:LEU668 4.5 41.2 1.0 CE A:LYS656 4.6 49.5 1.0 OD1 A:ASP680 4.6 58.4 1.0 CB A:ASP680 4.7 47.7 1.0 CD A:LYS656 4.8 49.3 1.0 CD2 A:LEU668 4.8 43.5 1.0 C A:ASN679 4.8 59.1 1.0 N A:ASP680 4.8 54.0 1.0 CB A:LYS656 4.8 45.0 1.0 C A:GLU682 4.9 46.7 1.0 CG A:ASP680 5.0 58.9 1.0

K.M.Maize, E.K.Kurbanov, R.L.Johnson, E.A.Amin, B.C.Finzel. Ligand-Induced Expansion of the S1' Site in the Anthrax Toxin Lethal Factor. Febs Lett. V. 589 3836 2015.
ISSN: ISSN 0014-5793
PubMed: 26578066
DOI: 10.1016/J.FEBSLET.2015.11.005