Atomistry » Fluorine » PDB 5srx-5tbe » 5ss5
Atomistry »
  Fluorine »
    PDB 5srx-5tbe »
      5ss5 »

Fluorine in PDB 5ss5: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCPE000000MAWK - (S) Isomer

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCPE000000MAWK - (S) Isomer

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCPE000000MAWK - (S) Isomer:
3.4.19.121;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCPE000000MAWK - (S) Isomer, PDB code: 5ss5 was solved by G.J.Correy, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.64 / 1.15
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 88.641, 88.641, 39.082, 90, 90, 90
R / Rfree (%) 14 / 16.1

Other elements in 5ss5:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCPE000000MAWK - (S) Isomer 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 Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCPE000000MAWK - (S) Isomer (pdb code 5ss5). 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 NSP3 Macrodomain in Complex with ZINCPE000000MAWK - (S) Isomer, PDB code: 5ss5:

Fluorine binding site 1 out of 1 in 5ss5

Go back to Fluorine Binding Sites List in 5ss5
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCPE000000MAWK - (S) Isomer


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 NSP3 Macrodomain in Complex with ZINCPE000000MAWK - (S) Isomer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:21.8
occ:0.40
 F22 A:RKU201 0.0 21.8 0.4
C21 A:RKU201 1.4 20.6 0.4
O A:HOH412 1.5 19.3 0.6
HA2 A:GLY48 2.1 19.8 0.6
HA2 A:GLY48 2.3 24.8 0.4
C20 A:RKU201 2.4 20.0 0.4
C23 A:RKU201 2.4 20.4 0.4
H201 A:RKU201 2.6 24.0 0.4
H231 A:RKU201 2.6 24.5 0.4
CA A:GLY48 2.8 16.5 0.6
H A:GLY48 2.8 19.1 0.6
H A:GLY48 2.9 25.1 0.4
CA A:GLY48 3.0 20.6 0.4
C A:GLY48 3.1 15.5 0.6
O A:GLY48 3.1 16.0 0.6
N A:GLY48 3.1 15.9 0.6
C A:GLY48 3.2 20.1 0.4
N A:GLY48 3.3 21.0 0.4
O A:GLY48 3.3 20.4 0.4
C19 A:RKU201 3.6 20.5 0.4
C14 A:RKU201 3.6 19.5 0.4
HA3 A:GLY48 3.6 19.8 0.6
HA3 A:GLY48 3.8 24.8 0.4
O A:HOH497 3.9 34.7 0.6
N A:VAL49 4.0 14.1 0.6
HB2 A:ALA52 4.1 19.5 1.0
N A:VAL49 4.1 19.6 0.4
C15 A:RKU201 4.1 20.4 0.4
O A:HOH496 4.1 25.5 0.4
O A:HOH510 4.3 30.5 0.6
C A:GLY47 4.3 15.6 0.6
H A:VAL49 4.4 16.9 0.6
H A:VAL49 4.4 23.5 0.4
C A:GLY47 4.6 21.0 0.4
HA A:VAL49 4.7 16.3 0.6
O A:HOH501 4.8 42.1 0.6
HA2 A:GLY47 4.8 19.6 0.6
O A:HOH348 4.8 21.5 0.6
H A:ALA52 4.8 16.7 0.4
HA A:VAL49 4.8 22.7 0.4
H A:ALA52 4.8 16.7 0.6
N18 A:RKU201 4.8 21.5 0.4
C13 A:RKU201 4.9 18.4 0.4
CB A:ALA52 4.9 16.2 1.0
CA A:VAL49 5.0 13.6 0.6
HB3 A:ALA52 5.0 19.5 1.0

Reference:

G.J.Correy, J.S.Fraser. Ligand Screen Against Sars-Cov-2 NSP3 Macrodomain To Be Published.
Page generated: Thu Aug 1 14:55:49 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy