Chlorine in PDB 5s9a: Pandda Analysis Group Deposition -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative, PDB code: 5s9a was solved by H.Grosjean, A.Aimon, S.Hassel-Hart, 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)	54.85 / 1.36
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.233, 26.994, 55.757, 90, 100.34, 90
R / Rfree (%)	18.8 / 21.7

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative (pdb code 5s9a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative, PDB code: 5s9a:

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1501 b:15.5 occ:0.34 CL1 A:XZY1501 0.0 15.5 0.3 C10 A:XZY1501 1.7 13.7 0.3 O3 A:XZY1501 2.7 13.1 0.3 C9 A:XZY1501 2.7 13.5 0.3 O A:HOH1725 3.2 40.1 0.3 O A:HOH1734 3.3 16.9 1.0 C7 A:XZY1501 3.8 13.7 0.3 C8 A:XZY1501 3.9 13.8 0.3 O A:HOH1717 4.0 35.4 1.0 CD A:PRO1397 4.1 16.1 0.3 CD1 A:ILE1403 4.3 15.9 1.0 CE1 A:TYR1350 4.4 13.8 0.3 CB A:ILE1403 4.5 13.3 1.0 OG A:SER1401 4.5 17.5 0.3 CB A:SER1401 4.6 16.3 0.3 CG A:PRO1397 4.7 16.1 0.3 CE2 A:TYR1395 4.8 18.6 1.0 CG1 A:ILE1403 4.8 15.6 1.0 CD2 A:TYR1395 4.9 18.5 1.0

H.Grosjean, A.Aimon, S.Hart, T.Krojer, R.Talon, A.Douangamath, L.Koekemoer, P.C.Biggin, J.Spencer, F.Von Delft. Crystal Structures of the Second Bromodomain of Pleckstrin Homology Domain Interacting Protein (Phip) in Space Group C2 Soaked with Crude Reaction Mixtures To Be Published.