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Fluorine in PDB 5rm4: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1639162606

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1639162606

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1639162606:
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 Z1639162606, PDB code: 5rm4 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) 81.64 / 2.96
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 59.219, 70.367, 85.533, 102.41, 96.27, 112.45
R / Rfree (%) 16.8 / 25.3

Other elements in 5rm4:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1639162606 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 Z1639162606 (pdb code 5rm4). 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 Z1639162606, PDB code: 5rm4:

Fluorine binding site 1 out of 1 in 5rm4

Go back to Fluorine Binding Sites List in 5rm4
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z1639162606


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 Z1639162606 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:0.4
occ:1.00
 F13 A:PK4701 0.0 0.4 1.0
C12 A:PK4701 1.3 0.4 1.0
C10 A:PK4701 2.3 0.7 1.0
C6 A:PK4701 2.4 0.8 1.0
CB A:GLU365 2.7 56.9 1.0
C11 A:PK4701 2.8 0.3 1.0
OE2 A:GLU365 2.8 64.8 1.0
O5 A:PK4701 2.8 0.6 1.0
CD A:GLU365 3.0 60.4 1.0
S3 A:PK4701 3.0 0.0 1.0
CG A:GLU365 3.1 56.8 1.0
C1 A:PK4701 3.2 0.7 1.0
N2 A:PK4701 3.4 0.0 1.0
C9 A:PK4701 3.6 0.7 1.0
C7 A:PK4701 3.6 0.2 1.0
OE1 A:GLU365 3.6 75.9 1.0
CA A:GLU365 3.8 56.5 1.0
OE1 B:GLU365 3.9 81.6 1.0
C A:GLU365 4.0 55.4 1.0
O A:GLU365 4.1 57.2 1.0
C8 A:PK4701 4.1 0.5 1.0
O4 A:PK4701 4.4 0.9 1.0
NH1 B:ARG390 4.4 73.4 1.0
CD B:GLU365 4.5 68.7 1.0
OE2 B:GLU365 4.7 71.3 1.0
N A:THR366 4.8 59.2 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 13:57:48 2024

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