Fluorine in PDB 8bw4: Pandda Analysis -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative

The structure of Pandda Analysis -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative, PDB code: 8bw4 was solved by H.Grosjean, A.Aimon, S.Hassell-Hart, W.J.Bradshaw, T.Krojer, R.Talon, A.Douangamath, L.Koekemoer, P.C.Biggin, J.Spencer, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.28 / 1.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.789, 27.009, 55.563, 90, 99.94, 90
R / Rfree (%)	23.5 / 31.6

The binding sites of Fluorine atom in the Pandda Analysis -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative (pdb code 8bw4). 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 Pandda Analysis -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative, PDB code: 8bw4:

Fluorine binding site 1 out of 1 in the Pandda Analysis -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:F1501 b:32.5 occ:1.00 F1 A:Y3S1501 0.0 32.5 1.0 C13 A:Y3S1501 1.3 28.5 1.0 C12 A:Y3S1501 2.5 23.5 1.0 C10 A:Y3S1501 2.5 30.2 1.0 O A:PRO1340 2.8 12.6 1.0 C7 A:Y3S1501 3.0 33.8 1.0 C8 A:Y3S1501 3.0 29.9 1.0 CG2 A:VAL1345 3.1 24.1 1.0 C9 A:Y3S1501 3.2 30.1 1.0 N3 A:Y3S1501 3.3 35.8 1.0 C11 A:Y3S1501 3.6 27.9 1.0 C A:PRO1340 4.0 11.1 1.0 S1 A:Y3S1501 4.0 32.9 1.0 C16 A:Y3S1501 4.1 41.1 1.0 N2 A:Y3S1501 4.2 41.4 1.0 O3 A:Y3S1501 4.3 34.3 1.0 O A:GLN1343 4.3 18.2 1.0 CB A:VAL1345 4.3 30.1 1.0 C15 A:Y3S1501 4.5 39.5 1.0 C14 A:Y3S1501 4.5 31.0 1.0 CA A:VAL1345 4.7 30.5 1.0 N A:VAL1345 4.8 34.4 1.0 CA A:PHE1341 4.9 12.9 1.0 N A:PHE1341 4.9 10.7 1.0 CG1 A:VAL1345 4.9 31.3 1.0 CA A:PRO1340 5.0 11.0 1.0

H.Grosjean, A.Aimon, S.Hassell-Hart, W.J.Bradshaw, T.Krojer, R.Talon, A.Douangamath, L.Koekemoer, P.C.Biggin, J.Spencer, F.Von Delft. Pandda Analysis -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative To Be Published.