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

Protein crystallography data

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

Other elements in 5s9a:

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

Chlorine Binding Sites:

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 5s9a

Go back to Chlorine Binding Sites List in 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

Reference:

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.
Page generated: Sat Jul 12 08:18:56 2025

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