Fluorine in PDB 9f4v: UP1 in Complex with EN300-118084

The structure of UP1 in Complex with EN300-118084, PDB code: 9f4v 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)	37.90 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.999, 43.804, 55.982, 90, 94.06, 90
R / Rfree (%)	18.1 / 20

The binding sites of Fluorine atom in the UP1 in Complex with EN300-118084 (pdb code 9f4v). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the UP1 in Complex with EN300-118084, PDB code: 9f4v:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the UP1 in Complex with EN300-118084


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 EN300-118084 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:31.3 occ:0.47 F A:UQJ201 0.0 31.3 0.5 C5 A:UQJ201 1.3 29.9 0.5 F1 A:UQJ201 2.1 39.9 0.5 C4 A:UQJ201 2.3 31.4 0.5 O A:UQJ201 2.7 14.4 0.5 CG2 A:THR103 2.9 25.0 1.0 C2 A:UQJ201 3.0 31.6 0.5 C3 A:UQJ201 3.1 22.9 0.5 N2 A:UQJ201 3.4 38.2 0.5 CB A:HIS156 3.6 11.1 1.0 CD2 A:HIS156 3.6 12.1 1.0 CG A:HIS156 3.8 10.9 1.0 CB A:THR103 3.8 25.4 1.0 O A:THR103 4.1 21.9 1.0 C1 A:UQJ201 4.2 33.4 0.5 C A:THR103 4.2 18.1 1.0 N1 A:UQJ201 4.4 22.0 0.5 N A:UQJ201 4.4 36.1 0.5 CA A:THR103 4.6 20.1 1.0 N A:VAL104 4.7 13.4 1.0 NE2 A:HIS156 4.7 13.4 1.0 N A:HIS156 4.7 9.8 1.0 CA A:HIS156 4.7 9.6 1.0 CG A:LYS105 4.8 16.8 1.0 ND1 A:HIS156 4.9 13.2 1.0 OG1 A:THR103 5.0 26.4 1.0

Fluorine binding site 2 out of 2 in the UP1 in Complex with EN300-118084


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of UP1 in Complex with EN300-118084 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:39.9 occ:0.47 F1 A:UQJ201 0.0 39.9 0.5 C5 A:UQJ201 1.3 29.9 0.5 F A:UQJ201 2.1 31.3 0.5 C4 A:UQJ201 2.3 31.4 0.5 N2 A:UQJ201 2.6 38.2 0.5 O A:THR103 3.2 21.9 1.0 C2 A:UQJ201 3.7 31.6 0.5 CG2 A:THR103 3.9 25.0 1.0 C A:THR103 3.9 18.1 1.0 N A:UQJ201 4.0 36.1 0.5 CB A:THR103 4.0 25.4 1.0 O A:UQJ201 4.4 14.4 0.5 C1 A:UQJ201 4.5 33.4 0.5 C3 A:UQJ201 4.5 22.9 0.5 CA A:THR103 4.6 20.1 1.0 N A:VAL104 4.6 13.4 1.0 CA A:VAL104 4.8 16.1 1.0

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.