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Fluorine in PDB 5qxy: Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A:
3.6.1.3;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A, PDB code: 5qxy was solved by M.Snee, R.Talon, D.Fowley, P.Collins, A.Nelson, C.H.Arrowsmith, C.Bountra, A.Edwards, F.Von-Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.06 / 1.54
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.966, 80.966, 140.151, 90.00, 90.00, 120.00
R / Rfree (%) 16.3 / 17.2

Other elements in 5qxy:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A also contains other interesting chemical elements:

Bromine (Br) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A (pdb code 5qxy). 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 Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A, PDB code: 5qxy:

Fluorine binding site 1 out of 1 in 5qxy

Go back to Fluorine Binding Sites List in 5qxy
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with JKH93A


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 ATAD2 in Complex with JKH93A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:15.4
occ:0.37
F A:RK71201 0.0 15.4 0.4
C3 A:RK71201 1.4 13.3 0.4
C2 A:RK71201 2.3 14.0 0.4
C4 A:RK71201 2.4 14.7 0.4
O1 A:RK71201 2.6 13.3 0.4
O2 A:RK71201 2.9 13.5 0.4
C5 A:RK71201 3.0 15.8 0.4
C6 A:RK71201 3.3 15.6 0.4
O A:RK71201 3.5 13.0 0.4
N A:RK71201 4.0 15.9 0.4
C7 A:RK71201 4.3 15.9 0.4
C1 A:RK71201 4.7 14.0 0.4
C9 A:RK71201 4.8 16.9 0.4
C8 A:RK71201 5.0 16.9 0.4

Reference:

M.Snee, R.Talon, D.Fowley, P.Collins, A.Nelson, C.H.Arrowsmith, C.Bountra, A.Edwards, F.Von-Delft. Pandda Analysis Group Deposition - Bromodomain of Human ATAD2 Fragment Screening To Be Published.
Page generated: Sun Dec 13 12:32:49 2020

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