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Fluorine in PDB 5rl9: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1703168683

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1703168683

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1703168683:
3.6.4.12; 3.6.4.13;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1703168683, PDB code: 5rl9 was solved by J.A.Newman, Y.Yosaatmadja, A.Douangamath, A.Aimon, A.J.Powell, A.Dias, D.Fearon, L.Dunnett, J.Brandao-Neto, T.Krojer, R.Skyner, T.Gorrie-Stone, W.Thompson, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 81.49 / 1.79
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 59.119, 70.182, 85.413, 102.61, 96.08, 112.48
R / Rfree (%) 17.7 / 23.1

Other elements in 5rl9:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1703168683 also contains other interesting chemical elements:

Zinc (Zn) 6 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1703168683 (pdb code 5rl9). 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 Sars-Cov-2 Helicase in Complex with Z1703168683, PDB code: 5rl9:

Fluorine binding site 1 out of 1 in 5rl9

Go back to Fluorine Binding Sites List in 5rl9
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1703168683


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 Sars-Cov-2 Helicase in Complex with Z1703168683 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:32.0
occ:0.54
 F B:UR7701 0.0 32.0 0.5
C7 B:UR7701 1.4 29.6 0.5
C6 B:UR7701 2.3 29.7 0.5
C1 B:UR7701 2.4 29.2 0.5
C B:UR7701 2.9 28.6 0.5
NZ B:LYS320 3.3 56.4 1.0
O B:HOH883 3.4 27.2 1.0
C4 B:UR7701 3.6 30.4 0.5
C2 B:UR7701 3.6 29.1 0.5
CB B:HIS290 3.7 35.5 1.0
ND1 B:HIS290 4.0 38.6 1.0
CG B:HIS290 4.0 38.9 1.0
C3 B:UR7701 4.1 30.1 0.5
CA B:GLY287 4.4 33.9 1.0
CE B:LYS320 4.4 50.7 1.0
C5 B:UR7701 4.8 31.6 0.5
O B:UR7701 4.8 32.3 0.5
O3 B:PO4705 4.9 50.6 1.0
CE1 B:HIS290 4.9 39.3 1.0
CA B:HIS290 4.9 33.7 1.0

Reference:

J.A.Newman, Y.Yosaatmadja, A.Douangamath, A.Aimon, A.J.Powell, A.Dias, D.Fearon, L.Dunnett, J.Brandao-Neto, T.Krojer, R.Skyner, T.Gorrie-Stone, W.Thompson, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 13:56:36 2024

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