Fluorine in PDB 5r85: Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1262246195 in Complex with Interleukin-1 Beta

The structure of Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1262246195 in Complex with Interleukin-1 Beta, PDB code: 5r85 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)	34.42 / 1.44
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	54.700, 54.700, 75.240, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 21.4

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1262246195 in Complex with Interleukin-1 Beta (pdb code 5r85). 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 Z1262246195 in Complex with Interleukin-1 Beta, PDB code: 5r85:
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 Z1262246195 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 Z1262246195 in Complex with Interleukin-1 Beta within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:21.9 occ:0.38 F A:S7A203 0.0 21.9 0.4 C A:S7A203 1.3 23.3 0.4 F2 A:S7A203 2.1 22.2 0.4 F1 A:S7A203 2.1 25.5 0.4 C1 A:S7A203 2.4 23.5 0.4 CD2 A:LEU69 3.3 20.0 1.0 C A:GLN81 3.4 21.4 1.0 N A:LEU82 3.5 21.4 1.0 CG A:LEU80 3.6 19.5 1.0 CA A:GLN81 3.7 22.8 1.0 O A:GLN81 3.7 21.6 1.0 C2 A:S7A203 3.7 23.7 0.4 CD2 A:LEU80 3.8 20.8 1.0 N A:GLN81 3.9 20.4 1.0 CG A:LEU82 3.9 24.2 1.0 O A:LEU80 3.9 23.3 1.0 C A:LEU80 4.0 21.8 1.0 O A:S7A203 4.0 20.8 0.4 CB A:LEU80 4.3 19.7 1.0 CA A:LEU82 4.3 20.4 1.0 CB A:LEU82 4.4 23.1 1.0 O A:HOH389 4.5 29.3 1.0 CD1 A:LEU82 4.6 26.0 1.0 CD1 A:LEU80 4.6 20.1 1.0 CA A:LEU80 4.7 20.5 1.0 CD2 A:LEU82 4.8 25.5 1.0 CG A:LEU69 4.8 18.3 1.0 O A:VAL132 4.8 22.4 1.0 O A:TYR24 4.8 20.9 0.4 N A:S7A203 4.8 26.0 0.4 CG A:LEU26 4.9 28.1 0.4 CD1 A:LEU26 4.9 28.4 0.4

Fluorine binding site 2 out of 3 in the Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1262246195 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 Z1262246195 in Complex with Interleukin-1 Beta within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:25.5 occ:0.38 F1 A:S7A203 0.0 25.5 0.4 C A:S7A203 1.3 23.3 0.4 F2 A:S7A203 2.1 22.2 0.4 F A:S7A203 2.1 21.9 0.4 C1 A:S7A203 2.5 23.5 0.4 O A:S7A203 2.8 20.8 0.4 C2 A:S7A203 3.0 23.7 0.4 O A:VAL132 3.3 22.4 1.0 CB A:LEU26 3.7 27.8 0.4 CD2 A:LEU80 3.7 20.8 1.0 CB A:VAL132 3.9 19.2 1.0 N A:LEU26 4.0 27.4 0.4 C A:VAL132 4.0 20.7 1.0 CG A:LEU26 4.1 28.1 0.4 O A:LEU26 4.3 25.3 0.4 CG A:LEU80 4.3 19.5 1.0 N A:S7A203 4.3 26.0 0.4 CA A:VAL132 4.4 20.1 1.0 CD2 A:LEU69 4.4 20.0 1.0 CA A:LEU26 4.4 26.6 0.4 CD1 A:LEU26 4.4 28.4 0.4 N A:VAL132 4.5 21.7 1.0 CG1 A:VAL132 4.5 20.6 1.0 O A:HOH332 4.6 32.0 1.0 CG2 A:VAL132 4.8 21.2 1.0 C A:LEU26 4.8 27.0 0.4 CB A:LEU80 4.9 19.7 1.0 O A:LEU80 4.9 23.3 1.0

Fluorine binding site 3 out of 3 in the Pandda Analysis Group Deposition Interleukin-1 Beta -- Fragment Z1262246195 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 Z1262246195 in Complex with Interleukin-1 Beta within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:22.2 occ:0.38 F2 A:S7A203 0.0 22.2 0.4 C A:S7A203 1.3 23.3 0.4 F A:S7A203 2.1 21.9 0.4 F1 A:S7A203 2.1 25.5 0.4 C1 A:S7A203 2.4 23.5 0.4 O A:S7A203 2.8 20.8 0.4 C2 A:S7A203 2.9 23.7 0.4 O A:TYR24 3.3 20.9 0.4 N A:LEU26 3.4 27.4 0.4 CD1 A:LEU82 3.6 26.0 1.0 CG A:LEU82 3.6 24.2 1.0 CG A:LEU26 3.7 28.1 0.4 CA A:GLU25 3.9 26.0 0.4 CB A:LEU26 3.9 27.8 0.4 C A:TYR24 4.0 25.9 0.4 C A:GLU25 4.0 26.6 0.4 N A:S7A203 4.2 26.0 0.4 CB A:LEU82 4.2 23.1 1.0 N A:LEU82 4.2 21.4 1.0 N A:GLU25 4.2 24.5 0.4 O A:HOH389 4.3 29.3 1.0 CA A:LEU26 4.3 26.6 0.4 CD1 A:LEU26 4.5 28.4 0.4 CD2 A:LEU69 4.5 20.0 1.0 C A:GLN81 4.7 21.4 1.0 CA A:LEU82 4.7 20.4 1.0 CD2 A:LEU82 4.8 25.5 1.0 CD2 A:LEU26 4.8 29.9 0.4 C6 A:S7A203 4.9 26.6 0.4 O A:LEU26 5.0 25.3 0.4 CA A:GLN81 5.0 22.8 1.0

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