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Fluorine in PDB 7gpg: Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z802540802

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z802540802

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z802540802:
3.4.22.28;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z802540802, PDB code: 7gpg was solved by R.M.Lithgo, M.Fairhead, L.Koekemoer, J.C.Aschenbrenner, B.H.Balcomb, A.S.Godoy, P.G.Marples, X.Ni, C.W.E.Tomlinson, W.Thompson, C.Wild, D.Fearon, M.A.Walsh, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 73.69 / 1.31
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.828, 62.552, 147.373, 90, 90, 90
R / Rfree (%) 18.2 / 19.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z802540802 (pdb code 7gpg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z802540802, PDB code: 7gpg:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7gpg

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Fluorine binding site 1 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z802540802


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 Enterovirus D68 3C Protease in Complex with Z802540802 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:42.1
occ:0.70
 F B:TWC201 0.0 42.1 0.7
C5 B:TWC201 1.3 39.2 0.7
F1 B:TWC201 2.1 36.6 0.7
F2 B:TWC201 2.1 39.5 0.7
C2 B:TWC201 2.3 39.2 0.7
O B:ILE46 2.9 18.2 0.7
C3 B:TWC201 3.2 39.9 0.7
N1 B:TWC201 3.2 43.2 0.7
C B:ILE46 3.4 17.5 0.7
CE1 B:TYR48 3.4 27.3 1.0
CD1 B:TYR48 3.4 26.4 1.0
CA B:ILE47 3.6 17.4 1.0
N B:ILE47 3.6 17.6 1.0
C B:ILE47 4.0 18.4 1.0
CG2 B:ILE46 4.0 23.0 0.7
O B:ARG19 4.1 16.3 0.7
N B:TYR48 4.2 19.3 1.0
CB B:ILE46 4.2 22.6 0.7
N B:TWC201 4.3 43.2 0.7
C4 B:TWC201 4.3 39.6 0.7
O B:HOH361 4.3 17.8 1.0
CA B:ILE46 4.4 19.7 0.7
O B:HOH449 4.5 21.4 0.7
O B:HOH357 4.5 37.0 0.7
CZ B:TYR48 4.6 29.2 1.0
O B:ILE47 4.7 19.8 1.0
CG B:TYR48 4.7 22.9 1.0
O B:HOH424 4.9 28.0 0.7
CA B:THR20 4.9 16.6 0.7
CB B:ILE47 4.9 16.9 1.0

Fluorine binding site 2 out of 3 in 7gpg

Go back to Fluorine Binding Sites List in 7gpg
Fluorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z802540802


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z802540802 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:36.6
occ:0.70
 F1 B:TWC201 0.0 36.6 0.7
C5 B:TWC201 1.3 39.2 0.7
F2 B:TWC201 2.1 39.5 0.7
F B:TWC201 2.1 42.1 0.7
C2 B:TWC201 2.3 39.2 0.7
C3 B:TWC201 2.8 39.9 0.7
O B:HOH424 3.1 28.0 0.7
N B:GLU21 3.1 22.1 0.7
O B:HOH361 3.1 17.8 1.0
CA B:THR20 3.2 16.6 0.7
C B:THR20 3.3 18.9 0.7
O B:ILE46 3.3 18.2 0.7
N1 B:TWC201 3.5 43.2 0.7
O B:ARG19 3.8 16.3 0.7
CA B:GLU21 4.1 26.1 0.7
O B:THR20 4.1 18.4 0.7
CB B:THR20 4.2 16.8 0.7
C4 B:TWC201 4.2 39.6 0.7
N B:THR20 4.2 15.6 0.7
C B:ILE46 4.3 17.5 0.7
O B:HOH449 4.3 21.4 0.7
CA B:ILE47 4.3 17.4 1.0
C B:ARG19 4.4 15.6 0.7
O B:HOH484 4.4 28.6 1.0
N B:TWC201 4.4 43.2 0.7
CB B:GLU21 4.6 32.3 0.7
N B:ILE47 4.7 17.6 1.0
CD1 B:TYR48 4.8 26.4 1.0
CG2 B:THR20 5.0 17.1 0.7

Fluorine binding site 3 out of 3 in 7gpg

Go back to Fluorine Binding Sites List in 7gpg
Fluorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z802540802


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z802540802 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:39.5
occ:0.70
 F2 B:TWC201 0.0 39.5 0.7
C5 B:TWC201 1.3 39.2 0.7
F1 B:TWC201 2.1 36.6 0.7
F B:TWC201 2.1 42.1 0.7
C2 B:TWC201 2.3 39.2 0.7
N1 B:TWC201 2.8 43.2 0.7
O B:HOH449 3.2 21.4 0.7
O B:ILE46 3.5 18.2 0.7
C3 B:TWC201 3.7 39.9 0.7
O B:HOH484 3.8 28.6 1.0
O B:HOH424 3.9 28.0 0.7
O B:HOH487 3.9 31.3 1.0
N B:TWC201 4.1 43.2 0.7
C B:ILE46 4.4 17.5 0.7
O B:HOH361 4.4 17.8 1.0
N B:GLU21 4.5 22.1 0.7
C4 B:TWC201 4.6 39.6 0.7
O B:HOH357 4.8 37.0 0.7
CB B:ILE46 4.8 22.6 0.7
CE1 B:TYR48 4.9 27.3 1.0
CA B:GLU21 4.9 26.1 0.7
C B:THR20 5.0 18.9 0.7

Reference:

R.M.Lithgo, M.Fairhead, L.Koekemoer, J.C.Aschenbrenner, B.H.Balcomb, A.S.Godoy, P.G.Marples, X.Ni, C.W.E.Tomlinson, W.Thompson, C.Wild, D.Fearon, M.A.Walsh, F.Von Delft. Pandda Analysis Group Deposition To Be Published.
Page generated: Fri Aug 2 07:43:14 2024

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