Fluorine in PDB 9f4g: UP1 in Complex with Z1373445602

The structure of UP1 in Complex with Z1373445602, PDB code: 9f4g was solved by L.Dunnett, F.Prischi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.84 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.943, 43.855, 55.829, 90, 94.12, 90
R / Rfree (%)	18.6 / 22.1

The binding sites of Fluorine atom in the UP1 in Complex with Z1373445602 (pdb code 9f4g). 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 UP1 in Complex with Z1373445602, PDB code: 9f4g:

Fluorine binding site 1 out of 1 in the UP1 in Complex with Z1373445602


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of UP1 in Complex with Z1373445602 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:25.8 occ:0.49 F A:SZE201 0.0 25.8 0.5 C9 A:SZE201 1.3 24.9 0.5 C8 A:SZE201 2.3 21.6 0.5 C5 A:SZE201 2.4 27.5 0.5 C2 A:SZE201 2.8 25.1 0.5 O A:HOH374 2.8 29.2 1.0 N1 A:SZE201 2.9 23.6 0.5 CZ A:PHE17 3.5 18.0 0.8 C7 A:SZE201 3.6 24.4 0.5 CE1 A:PHE17 3.6 14.0 0.8 N2 A:SZE201 3.6 23.2 0.5 CE2 A:PHE17 4.0 19.9 0.8 C6 A:SZE201 4.1 23.8 0.5 C1 A:SZE201 4.1 17.0 0.5 CD1 A:PHE17 4.2 16.9 0.8 C3 A:SZE201 4.3 25.6 0.5 CD2 A:PHE17 4.5 14.1 0.8 CG A:PHE17 4.6 12.1 0.8

L.Dunnett, F.Prischi. Enhanced Identification of Small Molecules Binding to Hnrnp A1 Via in Silico Hotspot and Cryptic Pockets Mapping Coupled with X-Ray Fragment Screening To Be Published.