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Fluorine in PDB 5r4y: Xchem Fragment Screen -- Crystal Structure of the Bromodomain of the Human ATAD2 in Complex with N13612A

Enzymatic activity of Xchem Fragment Screen -- Crystal Structure of the Bromodomain of the Human ATAD2 in Complex with N13612A

All present enzymatic activity of Xchem Fragment Screen -- Crystal Structure of the Bromodomain of the Human ATAD2 in Complex with N13612A:
3.6.1.3;

Protein crystallography data

The structure of Xchem Fragment Screen -- Crystal Structure of the Bromodomain of the Human ATAD2 in Complex with N13612A, PDB code: 5r4y was solved by R.Talon, T.Krojer, M.Fairhead, R.Sethi, A.R.Bradley, A.Aimon, P.Collins, J.Brandao-Neto, A.Douangamath, N.Wright, E.Maclean, R.Zhang, A.Dias, P.E.Brennan, C.Bountra, C.H.Arrowsmith, A.Edwards, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 62.46 / 1.84
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.550, 80.550, 139.360, 90.00, 90.00, 120.00
R / Rfree (%) 16.9 / 19.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Xchem Fragment Screen -- Crystal Structure of the Bromodomain of the Human ATAD2 in Complex with N13612A (pdb code 5r4y). 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 Xchem Fragment Screen -- Crystal Structure of the Bromodomain of the Human ATAD2 in Complex with N13612A, PDB code: 5r4y:

Fluorine binding site 1 out of 1 in 5r4y

Go back to Fluorine Binding Sites List in 5r4y
Fluorine binding site 1 out of 1 in the Xchem Fragment Screen -- Crystal Structure of the Bromodomain of the Human ATAD2 in Complex with N13612A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Xchem Fragment Screen -- Crystal Structure of the Bromodomain of the Human ATAD2 in Complex with N13612A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:89.9
occ:1.00
F A:GX41201 0.0 89.9 1.0
C A:GX41201 1.3 80.5 1.0
C1 A:GX41201 2.3 79.5 1.0
C5 A:GX41201 2.4 80.2 1.0
C2 A:GX41201 3.6 69.6 1.0
C4 A:GX41201 3.6 75.8 1.0
O A:GLU1017 3.7 58.9 1.0
C3 A:GX41201 4.2 65.0 1.0
OE2 A:GLU1017 4.7 80.8 1.0
C A:GLU1017 4.8 63.1 1.0

Reference:

R.Talon, T.Krojer, M.Fairhead, R.Sethi, A.R.Bradley, A.Aimon, P.Collins, J.Brandao-Neto, A.Douangamath, N.Wright, E.Maclean, R.Zhang, A.Dias, P.E.Brennan, C.Bountra, C.H.Arrowsmith, A.Edwards, F.Von Delft. Xchem Fragment Screen To Be Published.
Page generated: Thu Aug 1 13:35:55 2024

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