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Chlorine in PDB 5rml: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z85956652

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z85956652

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z85956652:
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 Z85956652, PDB code: 5rml 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) 81.52 / 2.43
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 58.940, 70.101, 85.447, 102.81, 95.84, 112.42
R / Rfree (%) 20.7 / 28.9

Other elements in 5rml:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z85956652 also contains other interesting chemical elements:

Zinc (Zn) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z85956652 (pdb code 5rml). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z85956652, PDB code: 5rml:

Chlorine binding site 1 out of 1 in 5rml

Go back to Chlorine Binding Sites List in 5rml
Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z85956652


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Helicase in Complex with Z85956652 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:56.5
occ:0.44
 CL1 A:VXD701 0.0 56.5 0.4
C3 A:VXD701 1.7 45.3 0.4
C4 A:VXD701 2.7 44.0 0.4
C2 A:VXD701 2.7 42.5 0.4
CD2 A:PHE145 2.9 93.2 1.0
C1 A:VXD701 3.0 42.0 0.4
CE2 A:PHE145 3.4 97.1 1.0
CD2 A:LEU411 3.9 54.2 0.4
CE2 A:TYR149 3.9 0.4 1.0
C5 A:VXD701 4.0 42.4 0.4
CG A:PHE145 4.0 91.4 1.0
C7 A:VXD701 4.0 40.6 0.4
O A:PHE145 4.2 0.7 1.0
C A:PHE145 4.2 0.2 1.0
CB A:PHE145 4.3 89.2 1.0
CG A:LYS146 4.3 0.2 1.0
N A:LYS146 4.3 0.7 1.0
CD2 A:TYR149 4.4 0.8 1.0
CA A:LYS146 4.4 0.8 1.0
C6 A:VXD701 4.5 41.0 0.4
O A:GLU142 4.6 72.7 1.0
CZ A:TYR149 4.7 0.4 1.0
CG2 A:THR410 4.7 50.0 0.4
CZ A:PHE145 4.8 94.0 1.0
OH A:TYR149 4.9 0.1 1.0
CA A:PHE145 4.9 94.9 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: Sat Dec 12 12:25:53 2020

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