Fluorine in PDB 5r8d: Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1745658474 in Complex with Interleukin-1 Beta

The structure of Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1745658474 in Complex with Interleukin-1 Beta, PDB code: 5r8d 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)	34.38 / 1.47
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	54.630, 54.630, 75.130, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 21.4

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1745658474 in Complex with Interleukin-1 Beta (pdb code 5r8d). 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 Z1745658474 in Complex with Interleukin-1 Beta, PDB code: 5r8d:
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 Z1745658474 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 Z1745658474 in Complex with Interleukin-1 Beta within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:21.5 occ:0.32 F A:S7J203 0.0 21.5 0.3 C5 A:S7J203 1.3 20.9 0.3 F1 A:S7J203 2.1 20.1 0.3 F2 A:S7J203 2.2 21.7 0.3 C3 A:S7J203 2.4 21.2 0.3 N2 A:S7J203 2.7 23.7 0.3 C A:GLN81 3.1 21.1 1.0 CD2 A:LEU69 3.3 19.8 1.0 N A:LEU82 3.4 21.1 1.0 CA A:GLN81 3.4 21.9 1.0 CG A:LEU80 3.5 20.1 1.0 O A:GLN81 3.5 19.6 1.0 N1 A:S7J203 3.5 21.1 0.3 N A:GLN81 3.6 20.5 1.0 CD2 A:LEU80 3.8 20.3 1.0 C A:LEU80 3.9 22.8 1.0 CG A:LEU82 3.9 25.0 1.0 O A:LEU80 4.0 24.3 1.0 C4 A:S7J203 4.0 24.6 0.3 CB A:LEU80 4.2 19.9 1.0 CA A:LEU82 4.2 20.3 1.0 CB A:LEU82 4.4 22.2 1.0 CD1 A:LEU80 4.5 20.8 1.0 O A:HOH396 4.5 29.0 1.0 O A:TYR24 4.5 21.1 0.3 C2 A:S7J203 4.6 24.1 0.3 CA A:LEU80 4.6 21.2 1.0 CD1 A:LEU82 4.7 25.2 1.0 CD2 A:LEU82 4.7 26.5 1.0 CG A:LEU69 4.8 18.2 1.0 C1 A:S7J203 4.8 25.3 0.3 CB A:GLN81 4.9 23.1 1.0 O A:VAL132 5.0 21.7 1.0

Fluorine binding site 2 out of 3 in the Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1745658474 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 Z1745658474 in Complex with Interleukin-1 Beta within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:20.1 occ:0.32 F1 A:S7J203 0.0 20.1 0.3 C5 A:S7J203 1.3 20.9 0.3 F A:S7J203 2.1 21.5 0.3 F2 A:S7J203 2.1 21.7 0.3 C3 A:S7J203 2.4 21.2 0.3 N1 A:S7J203 2.7 21.1 0.3 CG A:LEU82 3.4 25.0 1.0 N A:LEU26 3.4 25.1 0.3 CD1 A:LEU82 3.4 25.2 1.0 O A:TYR24 3.5 21.1 0.3 N2 A:S7J203 3.5 23.7 0.3 CG A:LEU26 3.6 25.7 0.3 CB A:LEU26 3.6 25.1 0.3 CA A:GLU25 3.9 26.0 0.3 C A:GLU25 3.9 25.8 0.3 CD1 A:LEU26 4.0 26.8 0.3 CD2 A:LEU69 4.0 19.8 1.0 C2 A:S7J203 4.1 24.1 0.3 CA A:LEU26 4.1 24.5 0.3 CB A:LEU82 4.2 22.2 1.0 C A:TYR24 4.2 25.2 0.3 N A:LEU82 4.2 21.1 1.0 N A:GLU25 4.4 24.0 0.3 CD2 A:LEU82 4.5 26.5 1.0 C A:GLN81 4.6 21.1 1.0 C4 A:S7J203 4.7 24.6 0.3 CA A:LEU82 4.7 20.3 1.0 O A:HOH396 4.8 29.0 1.0 O A:GLU25 4.9 26.0 0.3 C1 A:S7J203 4.9 25.3 0.3 CD2 A:LEU26 4.9 25.5 0.3

Fluorine binding site 3 out of 3 in the Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1745658474 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 Z1745658474 in Complex with Interleukin-1 Beta within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:21.7 occ:0.32 F2 A:S7J203 0.0 21.7 0.3 C5 A:S7J203 1.3 20.9 0.3 F1 A:S7J203 2.1 20.1 0.3 F A:S7J203 2.2 21.5 0.3 C3 A:S7J203 2.3 21.2 0.3 N1 A:S7J203 3.1 21.1 0.3 N2 A:S7J203 3.1 23.7 0.3 CD2 A:LEU80 3.3 20.3 1.0 CB A:LEU26 3.4 25.1 0.3 CD2 A:LEU69 3.5 19.8 1.0 CD1 A:LEU26 3.6 26.8 0.3 CG A:LEU26 3.8 25.7 0.3 O A:VAL132 3.8 21.7 1.0 CB A:VAL132 3.8 18.9 1.0 CG A:LEU80 3.9 20.1 1.0 CG1 A:VAL132 4.2 20.4 1.0 C2 A:S7J203 4.2 24.1 0.3 N A:LEU26 4.2 25.1 0.3 C4 A:S7J203 4.3 24.6 0.3 C A:VAL132 4.4 20.6 1.0 CA A:LEU26 4.4 24.5 0.3 CA A:VAL132 4.6 19.3 1.0 O A:LEU26 4.7 23.8 0.3 C1 A:S7J203 4.7 25.3 0.3 CG2 A:VAL132 4.8 20.8 1.0 CB A:LEU80 4.8 19.9 1.0 CG A:LEU82 4.9 25.0 1.0 CG A:LEU69 4.9 18.2 1.0

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