Fluorine in PDB 5zc5: Upa-Nu-09F

All present enzymatic activity of Upa-Nu-09F:
3.4.21.73;

The structure of Upa-Nu-09F, PDB code: 5zc5 was solved by L.G.Jiang, B.J.Buckley, M.D.Huang, M.J.Kelso, M.Ranson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.00 / 1.90
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	120.698, 120.698, 42.769, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 23.5

The binding sites of Fluorine atom in the Upa-Nu-09F (pdb code 5zc5). 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 Upa-Nu-09F, PDB code: 5zc5:

Fluorine binding site 1 out of 1 in the Upa-Nu-09F


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Upa-Nu-09F within 5.0Å range: probe atom residue distance (Å) B Occ U:F301 b:42.5 occ:1.00 F1 U:09I301 0.0 42.5 1.0 C5 U:09I301 1.3 41.5 1.0 C6 U:09I301 2.4 40.4 1.0 C4 U:09I301 2.4 41.9 1.0 C7 U:09I301 3.1 38.4 1.0 CA U:GLY219 3.3 33.9 1.0 NH2 U:ARG217 3.3 58.5 1.0 C1 U:09I301 3.6 39.6 1.0 N U:GLY219 3.6 35.8 1.0 C3 U:09I301 3.7 40.4 1.0 C2 U:09I301 4.2 41.1 1.0 CZ U:ARG217 4.2 59.3 1.0 C U:GLY219 4.4 32.1 1.0 C8 U:09I301 4.4 36.9 1.0 O U:HOH415 4.5 30.0 1.0 O1 U:09I301 4.6 38.7 1.0 NE U:ARG217 4.7 53.4 1.0 C U:ARG217 4.9 33.6 1.0 O U:GLY219 5.0 32.9 1.0 N U:CYS220 5.0 29.7 1.0

B.J.Buckley, A.Aboelela, E.Minaei, L.X.Jiang, Z.Xu, U.Ali, K.Fildes, C.Y.Cheung, S.M.Cook, D.C.Johnson, D.A.Bachovchin, G.M.Cook, M.Apte, M.Huang, M.Ranson, M.J.Kelso. 6-Substituted Hexamethylene Amiloride (Hma) Derivatives As Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator For Use in Cancer. J. Med. Chem. V. 61 8299 2018.
ISSN: ISSN 1520-4804
PubMed: 30130401
DOI: 10.1021/ACS.JMEDCHEM.8B00838