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Fluorine in PDB 7gpi: Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z839157334

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z839157334

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z839157334:
3.4.22.28;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z839157334, PDB code: 7gpi 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) 73.68 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.802, 62.317, 147.363, 90, 90, 90
R / Rfree (%) 19.9 / 20.8

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 Z839157334 (pdb code 7gpi). 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 Enterovirus D68 3C Protease in Complex with Z839157334, PDB code: 7gpi:

Fluorine binding site 1 out of 1 in 7gpi

Go back to Fluorine Binding Sites List in 7gpi
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z839157334


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 Z839157334 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:61.3
occ:0.54
 F B:TWR201 0.0 61.3 0.5
C8 B:TWR201 1.3 69.0 0.5
C7 B:TWR201 2.3 69.2 0.5
C9 B:TWR201 2.4 70.8 0.5
N1 B:TWR201 2.7 74.7 0.5
O B:ARG19 3.0 19.5 0.5
O B:ILE46 3.0 19.9 1.0
CA B:ILE47 3.5 19.3 1.0
O B:HOH378 3.5 18.4 1.0
CA B:THR20 3.5 20.0 1.0
C6 B:TWR201 3.6 68.7 0.5
C4 B:TWR201 3.6 69.9 0.5
CD1 B:TYR48 3.7 29.2 1.0
C B:ILE46 3.8 19.4 1.0
C B:ARG19 3.9 19.2 0.5
C B:THR20 3.9 23.8 1.0
N B:TYR48 3.9 21.4 1.0
CE1 B:TYR48 4.0 32.0 1.0
C B:ILE47 4.0 20.8 1.0
N B:ILE47 4.0 18.9 1.0
C5 B:TWR201 4.1 68.5 0.5
N B:THR20 4.1 18.9 1.0
N B:GLU21 4.2 28.1 0.5
O B:HOH405 4.3 23.9 1.0
CB B:ILE47 4.5 19.4 1.0
CG1 B:ILE47 4.6 19.9 1.0
O B:THR20 4.6 22.1 1.0
CB B:THR20 4.7 18.8 1.0
O1 B:TWR201 4.8 69.0 0.5
CG B:TYR48 4.8 26.1 1.0

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 07:43:21 2024

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