Fluorine in PDB 5r8m: Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1818332938 in Complex with Interleukin-1 Beta

The structure of Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1818332938 in Complex with Interleukin-1 Beta, PDB code: 5r8m was solved by G.F.De Nicola, C.E.Nichols, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.27 / 1.39
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	54.560, 54.560, 75.560, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 21

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1818332938 in Complex with Interleukin-1 Beta (pdb code 5r8m). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1818332938 in Complex with Interleukin-1 Beta, PDB code: 5r8m:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1818332938 in Complex with Interleukin-1 Beta


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1818332938 in Complex with Interleukin-1 Beta within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:23.8 occ:0.34 F A:S8G203 0.0 23.8 0.3 C8 A:S8G203 1.4 24.2 0.3 F2 A:S8G203 2.1 25.1 0.3 F1 A:S8G203 2.2 26.8 0.3 C7 A:S8G203 2.4 25.2 0.3 C6 A:S8G203 2.8 25.6 0.3 N A:LEU82 3.2 21.2 0.3 O A:HOH310 3.3 20.4 0.3 C A:GLN81 3.3 20.6 1.0 CA A:GLN81 3.4 21.4 1.0 O A:LEU80 3.7 23.2 1.0 CG A:LEU82 3.8 21.7 0.3 N A:GLN81 3.8 19.8 1.0 C A:LEU80 3.9 21.5 1.0 O A:GLN81 4.0 20.0 1.0 O A:TYR24 4.0 21.1 0.3 CD1 A:LEU82 4.2 22.8 0.3 CD2 A:LEU69 4.2 19.4 1.0 CG A:LEU80 4.2 19.0 1.0 C5 A:S8G203 4.2 27.9 0.3 CA A:LEU82 4.3 20.7 0.3 CB A:LEU82 4.4 21.6 0.3 CD2 A:LEU80 4.5 20.2 1.0 CB A:LEU26 4.7 23.5 0.3 O A:S8G203 4.7 27.7 0.3 CB A:LEU80 4.7 19.2 1.0 CB A:GLN81 4.7 22.6 1.0 CD2 A:LEU82 4.8 21.5 0.3 O A:VAL132 4.9 20.9 1.0 CA A:LEU80 5.0 19.3 1.0

Fluorine binding site 2 out of 3 in the Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1818332938 in Complex with Interleukin-1 Beta


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1818332938 in Complex with Interleukin-1 Beta within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:26.8 occ:0.34 F1 A:S8G203 0.0 26.8 0.3 C8 A:S8G203 1.3 24.2 0.3 F2 A:S8G203 2.1 25.1 0.3 F A:S8G203 2.2 23.8 0.3 C7 A:S8G203 2.4 25.2 0.3 CD2 A:LEU80 3.3 20.2 1.0 CB A:LEU26 3.5 23.5 0.3 CD2 A:LEU26 3.6 22.8 0.3 O A:VAL132 3.6 20.9 1.0 CD2 A:LEU69 3.7 19.4 1.0 C6 A:S8G203 3.7 25.6 0.3 CG A:LEU80 3.7 19.0 1.0 CB A:VAL132 4.0 18.2 1.0 CG A:LEU26 4.1 23.5 0.3 C A:VAL132 4.3 19.7 1.0 CG1 A:VAL132 4.4 18.2 1.0 CB A:LEU80 4.5 19.2 1.0 CA A:LEU26 4.6 24.2 0.3 CA A:VAL132 4.7 19.2 1.0 O A:LEU26 4.7 23.6 0.3 CG A:LEU82 4.7 21.7 0.3 N A:LEU26 4.7 25.1 0.3 C5 A:S8G203 4.8 27.9 0.3 O A:LEU80 4.8 23.2 1.0 O A:S8G203 4.9 27.7 0.3 CD1 A:LEU82 4.9 22.8 0.3 CD1 A:LEU80 4.9 20.0 1.0 C A:LEU80 4.9 21.5 1.0 N A:VAL132 5.0 20.6 1.0

Fluorine binding site 3 out of 3 in the Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1818332938 in Complex with Interleukin-1 Beta


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1818332938 in Complex with Interleukin-1 Beta within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:25.1 occ:0.34 F2 A:S8G203 0.0 25.1 0.3 C8 A:S8G203 1.3 24.2 0.3 F A:S8G203 2.1 23.8 0.3 F1 A:S8G203 2.1 26.8 0.3 C7 A:S8G203 2.4 25.2 0.3 O A:LEU80 2.9 23.2 1.0 C6 A:S8G203 2.9 25.6 0.3 CG A:LEU80 3.1 19.0 1.0 O A:VAL132 3.1 20.9 1.0 CB A:LEU80 3.2 19.2 1.0 CD2 A:LEU80 3.2 20.2 1.0 C A:LEU80 3.3 21.5 1.0 O A:HOH353 3.6 29.4 1.0 O A:HOH359 3.8 30.3 1.0 CA A:LEU80 3.8 19.3 1.0 N A:GLN81 3.9 19.8 1.0 C A:VAL132 4.1 19.7 1.0 CA A:GLN81 4.1 21.4 1.0 C5 A:S8G203 4.3 27.9 0.3 CA A:PHE133 4.5 18.9 1.0 CD1 A:LEU80 4.5 20.0 1.0 C A:GLN81 4.6 20.6 1.0 N A:LEU80 4.7 19.1 1.0 N A:PHE133 4.7 17.8 1.0 O A:S8G203 4.8 27.7 0.3 O A:HOH310 4.9 20.4 0.3 CD2 A:LEU69 5.0 19.4 1.0 N A:LEU82 5.0 21.2 0.3

G.F.De Nicola, C.E.Nichols. Pandda Analysis Group Deposition Interleukin-1 Beta To Be Published.