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Fluorine in PDB 5rlo: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1454310449

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1454310449

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1454310449:
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 Z1454310449, PDB code: 5rlo 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) 81.35 / 2.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 59.065, 70.154, 85.301, 102.56, 96.34, 112.24
R / Rfree (%) 16.7 / 24.3

Other elements in 5rlo:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1454310449 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 Z1454310449 (pdb code 5rlo). 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 Z1454310449, PDB code: 5rlo:

Fluorine binding site 1 out of 1 in 5rlo

Go back to Fluorine Binding Sites List in 5rlo
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1454310449


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 Z1454310449 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:39.8
occ:0.58
 F B:UQS701 0.0 39.8 0.6
C B:UQS701 1.4 35.2 0.6
C1 B:UQS701 2.3 34.4 0.6
C5 B:UQS701 2.3 34.0 0.6
C6 B:UQS701 2.8 33.0 0.6
O B:THR440 2.9 44.7 1.0
CG2 B:THR440 3.1 42.3 1.0
C2 B:UQS701 3.6 32.6 0.6
CB B:THR440 3.6 43.4 1.0
C4 B:UQS701 3.6 32.6 0.6
C B:THR440 3.6 42.5 1.0
CB B:ARG442 3.8 55.1 1.0
C8 B:UQS701 4.0 30.6 0.6
N B:ARG442 4.0 46.9 1.0
C3 B:UQS701 4.1 32.8 0.6
N B:UQS701 4.1 32.9 0.6
CA B:THR440 4.2 42.9 1.0
CG B:ARG442 4.3 61.7 1.0
CA B:ARG442 4.3 49.1 1.0
C B:CYS441 4.4 45.4 1.0
C7 B:UQS701 4.4 31.4 0.6
N B:CYS441 4.5 41.0 1.0
CB B:HIS464 4.7 58.6 1.0
CA B:CYS441 4.8 43.2 1.0
OG1 B:THR440 4.9 45.5 1.0
O B:CYS441 4.9 46.5 1.0
O B:THR286 4.9 38.8 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 13:57:07 2024

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