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Fluorine in PDB 7go1: Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1143279263

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1143279263

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1143279263:
3.4.22.28;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1143279263, PDB code: 7go1 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) 73.79 / 1.68
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.707, 62.503, 147.587, 90, 90, 90
R / Rfree (%) 18.5 / 22.1

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 Z1143279263 (pdb code 7go1). 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 Z1143279263, PDB code: 7go1:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7go1

Go back to Fluorine Binding Sites List in 7go1
Fluorine binding site 1 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1143279263


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 Z1143279263 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:29.2
occ:0.40
 F A:UR7201 0.0 29.2 0.4
C7 A:UR7201 1.3 27.0 0.4
C6 A:UR7201 2.3 27.0 0.4
C1 A:UR7201 2.3 26.5 0.4
C A:UR7201 2.8 26.8 0.4
CB A:CYS60 3.3 20.0 0.4
C2 A:UR7201 3.6 25.1 0.4
C4 A:UR7201 3.6 26.6 0.4
CB A:ILE74 3.6 20.1 1.0
CG2 A:ILE74 3.9 22.5 1.0
C3 A:UR7201 4.1 25.1 0.4
N A:CYS60 4.1 18.4 0.4
O A:ILE74 4.1 22.8 1.0
CD1 A:ILE74 4.2 24.1 1.0
CA A:CYS60 4.3 18.8 0.4
CG1 A:ILE74 4.4 21.9 1.0
C A:ILE74 4.6 20.5 1.0
SG A:CYS60 4.6 22.6 0.4
O A:CYS60 4.6 17.6 0.4
CA A:ILE74 4.6 19.7 1.0
C A:ALA59 4.7 17.3 0.4
O A:UR7201 4.8 30.9 0.4
C5 A:UR7201 4.8 27.6 0.4
C A:CYS60 4.9 19.2 0.4

Fluorine binding site 2 out of 3 in 7go1

Go back to Fluorine Binding Sites List in 7go1
Fluorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1143279263


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 Z1143279263 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:60.0
occ:0.35
 F B:UR7201 0.0 60.0 0.3
C2 B:UR7201 1.0 50.1 0.3
C7 B:UR7201 1.4 61.6 0.3
C1 B:UR7201 2.0 49.6 0.3
C3 B:UR7201 2.2 51.8 0.3
C6 B:UR7201 2.3 63.7 0.3
C1 B:UR7201 2.3 62.8 0.3
C B:UR7201 2.5 49.4 0.3
C B:UR7201 2.8 63.2 0.3
SG B:CYS60 2.9 32.1 0.3
O B:HOH442 3.0 50.4 1.0
C7 B:UR7201 3.2 50.0 0.3
CB B:CYS60 3.4 25.9 0.3
C4 B:UR7201 3.4 52.5 0.3
CB B:CYS60 3.5 23.6 0.3
C2 B:UR7201 3.6 63.9 0.3
C4 B:UR7201 3.6 65.6 0.3
C6 B:UR7201 3.7 50.1 0.3
OD2 B:ASP58 3.9 42.2 1.0
C3 B:UR7201 4.1 63.7 0.3
CB B:ILE74 4.1 20.4 1.0
CG2 B:ILE74 4.2 22.1 1.0
F B:UR7201 4.3 46.5 0.3
SG B:CYS60 4.4 25.9 0.3
O1 B:UR7201 4.6 66.7 0.3
CD1 B:ILE74 4.6 25.5 1.0
O B:ILE74 4.6 19.3 1.0
C5 B:UR7201 4.7 56.8 0.3
CA B:CYS60 4.7 24.3 0.3
CA B:CYS60 4.7 22.8 0.3
N B:CYS60 4.8 22.4 0.3
C5 B:UR7201 4.9 72.4 0.3
CG1 B:ILE74 4.9 22.8 1.0
N B:CYS60 4.9 23.3 0.3
O1 B:UR7201 4.9 86.0 0.3
O B:HOH394 5.0 36.9 1.0

Fluorine binding site 3 out of 3 in 7go1

Go back to Fluorine Binding Sites List in 7go1
Fluorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1143279263


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 Z1143279263 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:46.5
occ:0.34
 F B:UR7201 0.0 46.5 0.3
C2 B:UR7201 1.2 63.9 0.3
C7 B:UR7201 1.4 50.0 0.3
C1 B:UR7201 1.9 62.8 0.3
C B:UR7201 2.3 63.2 0.3
C1 B:UR7201 2.3 49.6 0.3
C6 B:UR7201 2.3 50.1 0.3
C3 B:UR7201 2.4 63.7 0.3
C B:UR7201 2.8 49.4 0.3
C7 B:UR7201 3.2 61.6 0.3
CB B:LYS76 3.5 30.6 0.7
C2 B:UR7201 3.6 50.1 0.3
C4 B:UR7201 3.6 65.6 0.3
C4 B:UR7201 3.6 52.5 0.3
CG2 B:VAL34 3.7 26.1 1.0
C6 B:UR7201 3.9 63.7 0.3
C3 B:UR7201 4.1 51.8 0.3
CD B:LYS76 4.1 34.1 0.7
CG B:LYS76 4.2 32.9 0.7
F B:UR7201 4.3 60.0 0.3
CA B:LYS76 4.3 28.0 0.7
N B:LYS76 4.4 26.7 0.7
CG1 B:VAL34 4.4 22.8 1.0
CG2 B:ILE74 4.5 22.1 1.0
CB B:VAL34 4.6 23.5 1.0
C B:VAL75 4.7 26.2 1.0
O B:VAL75 4.7 27.1 1.0
OD2 B:ASP58 4.8 42.2 1.0
C5 B:UR7201 4.9 56.8 0.3
C5 B:UR7201 4.9 72.4 0.3
CB B:ASP58 5.0 27.3 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 07:42:13 2024

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