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Fluorine in PDB 5s8w: 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: 5s8w 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) 35.61 / 1.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.69, 27.14, 55.9, 90, 100.12, 90
R / Rfree (%) 17 / 19.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative (pdb code 5s8w). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Phip in Complex with Z198194396 Synthetic Derivative, PDB code: 5s8w:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5s8w

Go back to Fluorine Binding Sites List in 5s8w
Fluorine binding site 1 out of 2 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 Fluorine with other atoms in the F 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:F1501

b:36.5
occ:0.36
F A:Y1D1501 0.0 36.5 0.4
C4 A:Y1D1501 1.3 34.7 0.4
C3 A:Y1D1501 2.3 35.1 0.4
C5 A:Y1D1501 2.4 33.8 0.4
C2 A:Y1D1501 3.6 34.0 0.4
C6 A:Y1D1501 3.6 33.1 0.4
O A:HOH1637 3.7 38.0 1.0
C1 A:Y1D1501 4.1 33.1 0.4
CB A:GLN1343 4.6 22.8 0.4
O A:PRO1344 4.7 25.6 1.0
F1 A:Y1D1501 4.7 29.5 0.4
OE2 A:GLU1349 4.9 37.0 0.4

Fluorine binding site 2 out of 2 in 5s8w

Go back to Fluorine Binding Sites List in 5s8w
Fluorine binding site 2 out of 2 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 Fluorine with other atoms in the F binding site number 2 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:F1501

b:29.5
occ:0.36
F1 A:Y1D1501 0.0 29.5 0.4
C6 A:Y1D1501 1.3 33.1 0.4
C5 A:Y1D1501 2.4 33.8 0.4
C1 A:Y1D1501 2.4 33.1 0.4
N A:Y1D1501 2.8 32.0 0.4
O A:Y1D1501 2.9 33.4 0.4
N A:ASP1346 3.0 23.9 0.4
C A:Y1D1501 3.0 30.3 0.4
OE1 A:GLU1349 3.3 39.8 0.4
C4 A:Y1D1501 3.7 34.7 0.4
CB A:ASP1346 3.7 26.0 0.4
C2 A:Y1D1501 3.7 34.0 0.4
CA A:VAL1345 3.7 23.4 0.4
CE2 A:TYR1350 3.8 24.9 1.0
C A:VAL1345 3.8 23.3 0.4
CD2 A:TYR1350 3.9 24.6 1.0
CD A:GLU1349 3.9 36.5 0.4
CA A:ASP1346 3.9 25.9 0.4
OE2 A:GLU1349 4.1 37.0 0.4
C3 A:Y1D1501 4.2 35.1 0.4
CG1 A:VAL1345 4.2 23.4 0.4
N1 A:Y1D1501 4.2 27.5 0.4
O A:ASP1346 4.2 28.0 0.4
O A:PRO1344 4.4 25.6 1.0
CB A:VAL1345 4.4 23.1 0.4
C7 A:Y1D1501 4.5 26.8 0.4
O A:HOH1610 4.6 27.7 1.0
C A:ASP1346 4.6 27.5 0.4
CB A:GLU1349 4.7 33.0 0.4
F A:Y1D1501 4.7 36.5 0.4
N A:VAL1345 4.8 23.8 0.4
CG2 A:VAL1345 4.9 23.7 0.4
CG A:GLU1349 4.9 35.3 0.4

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: Tue Jul 15 07:05:26 2025

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