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Fluorine in PDB 7gp0: Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z385450668

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z385450668

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z385450668:
3.4.22.28;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z385450668, PDB code: 7gp0 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) 57.61 / 1.47
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.744, 62.5, 147.471, 90, 90, 90
R / Rfree (%) 20.2 / 22.4

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 Z385450668 (pdb code 7gp0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z385450668, PDB code: 7gp0:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7gp0

Go back to Fluorine Binding Sites List in 7gp0
Fluorine binding site 1 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z385450668


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 Z385450668 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:30.0
occ:0.39
 F1 A:LL0301 0.0 30.0 0.4
C7 A:LL0301 1.3 27.9 0.4
O3 A:LL0301 1.9 29.0 0.4
F2 A:LL0301 2.1 32.1 0.4
C6 A:LL0301 2.8 28.6 0.4
CA B:GLY117 2.9 30.1 1.0
C5 A:LL0301 3.1 26.9 0.4
N B:GLY117 3.2 27.5 1.0
CA B:ASP99 3.2 26.7 0.4
C B:ASP99 3.6 26.9 0.4
OD1 B:ASP99 3.8 27.2 0.4
CB B:ASP99 3.8 26.4 0.4
O B:ALA100 3.9 21.4 0.4
N B:ALA100 4.0 24.4 0.4
C1 A:LL0301 4.0 29.1 0.4
O B:ASP99 4.1 27.3 0.4
C B:GLY117 4.1 26.7 1.0
CB B:PRO115 4.2 25.4 1.0
C B:VAL116 4.3 29.0 1.0
N B:ASP99 4.3 27.4 0.4
N B:VAL116 4.3 21.2 1.0
CG B:ASP99 4.3 25.0 0.4
O2 A:LL0301 4.4 30.8 0.4
O B:GLY117 4.5 27.2 1.0
C4 A:LL0301 4.5 27.8 0.4
C B:PRO115 4.6 25.0 1.0
CA B:PRO115 4.6 24.3 1.0
N1 A:LL0301 4.7 28.7 0.4
S1 A:LL0301 4.7 33.6 0.4
O B:HOH326 4.8 38.7 1.0
C B:ALA100 4.8 21.7 0.4
CZ A:PHE140 4.9 27.9 0.4
NH2 A:ARG143 5.0 48.9 0.4
CA B:VAL116 5.0 25.1 1.0

Fluorine binding site 2 out of 4 in 7gp0

Go back to Fluorine Binding Sites List in 7gp0
Fluorine binding site 2 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z385450668


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 Z385450668 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:32.1
occ:0.39
 F2 A:LL0301 0.0 32.1 0.4
C7 A:LL0301 1.3 27.9 0.4
F1 A:LL0301 2.1 30.0 0.4
O3 A:LL0301 2.1 29.0 0.4
O2 A:LL0301 3.2 30.8 0.4
C6 A:LL0301 3.4 28.6 0.4
N1 A:LL0301 3.7 28.7 0.4
CZ A:PHE140 3.7 27.9 0.4
CA B:GLY117 3.8 30.1 1.0
CE2 A:PHE140 3.8 27.6 0.4
S1 A:LL0301 3.9 33.6 0.4
C1 A:LL0301 4.1 29.1 0.4
OD1 B:ASP99 4.2 27.2 0.4
N B:GLY117 4.2 27.5 1.0
CG A:PRO141 4.3 28.7 0.4
C5 A:LL0301 4.4 26.9 0.4
O A:PRO141 4.5 28.5 0.4
CB B:PRO115 4.7 25.4 1.0
CE1 A:PHE140 4.8 28.4 0.4
NH2 A:ARG143 4.8 48.9 0.4
CA B:ASP99 4.8 26.7 0.4
C B:VAL116 4.9 29.0 1.0
CD2 A:PHE140 5.0 27.9 0.4

Fluorine binding site 3 out of 4 in 7gp0

Go back to Fluorine Binding Sites List in 7gp0
Fluorine binding site 3 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z385450668


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 Z385450668 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:39.7
occ:0.38
 F1 B:LL0201 0.0 39.7 0.4
C7 B:LL0201 1.3 39.5 0.4
O3 B:LL0201 2.1 39.5 0.4
F2 B:LL0201 2.2 41.5 0.4
C6 B:LL0201 2.8 38.2 0.4
C5 B:LL0201 2.8 37.3 0.4
O B:HOH411 4.0 36.9 0.4
C1 B:LL0201 4.1 38.3 0.4
C4 B:LL0201 4.2 37.2 0.4
O B:HOH416 4.3 21.9 1.0
O1 B:LL0201 4.4 41.8 0.4
O B:HOH446 4.7 31.7 1.0

Fluorine binding site 4 out of 4 in 7gp0

Go back to Fluorine Binding Sites List in 7gp0
Fluorine binding site 4 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z385450668


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z385450668 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:41.5
occ:0.38
 F2 B:LL0201 0.0 41.5 0.4
C7 B:LL0201 1.4 39.5 0.4
O3 B:LL0201 2.2 39.5 0.4
F1 B:LL0201 2.2 39.7 0.4
C6 B:LL0201 2.6 38.2 0.4
C5 B:LL0201 2.7 37.3 0.4
C1 B:LL0201 3.8 38.3 0.4
C4 B:LL0201 3.9 37.2 0.4
O1 B:LL0201 4.5 41.8 0.4
C2 B:LL0201 4.7 37.8 0.4
S1 B:LL0201 4.7 39.7 0.4
C3 B:LL0201 4.8 37.6 0.4
N1 B:LL0201 5.0 38.8 0.4

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 07:42:56 2024

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