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Fluorine in PDB 7gpj: Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z85249949

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z85249949

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z85249949:
3.4.22.28;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z85249949, PDB code: 7gpj 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) 57.60 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.683, 62.494, 147.364, 90, 90, 90
R / Rfree (%) 19.6 / 21.3

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 Z85249949 (pdb code 7gpj). 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 Z85249949, PDB code: 7gpj:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7gpj

Go back to Fluorine Binding Sites List in 7gpj
Fluorine binding site 1 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z85249949


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 Z85249949 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:22.9
occ:0.42
 F B:TJ0201 0.0 22.9 0.4
C B:TJ0201 1.3 22.8 0.4
F1 B:TJ0201 2.1 23.8 0.4
F2 B:TJ0201 2.1 22.8 0.4
C1 B:TJ0201 2.4 22.8 0.4
C6 B:TJ0201 3.1 23.4 0.4
C2 B:TJ0201 3.3 23.3 0.4
C7 B:TJ0201 3.3 23.0 0.4
C11 B:TJ0201 3.4 20.8 0.4
N B:TJ0201 3.4 20.4 0.4
O1 B:TJ0201 3.5 26.0 0.4
CG2 B:ILE74 3.5 20.2 1.0
C10 B:TJ0201 3.5 20.8 0.4
CB B:ILE74 3.6 19.0 1.0
O B:ILE74 3.7 18.0 1.0
CB B:CYS60 3.8 23.0 0.4
O B:TJ0201 4.1 26.1 0.4
O B:HOH305 4.1 53.4 1.0
C B:ILE74 4.2 18.4 1.0
N1 B:TJ0201 4.3 19.4 0.4
C5 B:TJ0201 4.4 23.8 0.4
C8 B:TJ0201 4.4 20.2 0.4
CA B:ILE74 4.5 18.0 1.0
C3 B:TJ0201 4.5 23.3 0.4
N B:CYS60 4.5 21.2 0.4
CG1 B:ILE74 4.6 20.0 1.0
C B:ALA59 4.7 21.3 0.4
CD1 B:ILE74 4.7 23.0 1.0
N B:VAL75 4.8 19.2 0.4
CA B:CYS60 4.8 21.3 0.4
CA B:ALA59 4.9 21.8 0.4
C4 B:TJ0201 4.9 23.3 0.4
SG B:CYS60 5.0 22.6 0.4
C9 B:TJ0201 5.0 19.2 0.4

Fluorine binding site 2 out of 3 in 7gpj

Go back to Fluorine Binding Sites List in 7gpj
Fluorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z85249949


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 Z85249949 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:23.8
occ:0.42
 F1 B:TJ0201 0.0 23.8 0.4
C B:TJ0201 1.3 22.8 0.4
F B:TJ0201 2.1 22.9 0.4
F2 B:TJ0201 2.1 22.8 0.4
C1 B:TJ0201 2.4 22.8 0.4
C7 B:TJ0201 2.8 23.0 0.4
O B:TJ0201 2.9 26.1 0.4
C6 B:TJ0201 2.9 23.4 0.4
N B:TJ0201 3.5 20.4 0.4
C2 B:TJ0201 3.5 23.3 0.4
N B:LYS76 3.7 22.8 0.4
C B:VAL75 3.8 21.6 0.4
O B:ILE74 3.8 18.0 1.0
CG2 B:ILE74 3.8 20.2 1.0
CB B:ASP58 3.9 24.7 0.4
CA B:VAL75 4.0 20.6 0.4
C B:ILE74 4.1 18.4 1.0
N B:VAL75 4.2 19.2 0.4
O B:ASP58 4.2 19.4 0.4
C B:ASP58 4.2 22.5 0.4
C8 B:TJ0201 4.2 20.2 0.4
C11 B:TJ0201 4.2 20.8 0.4
CB B:LYS76 4.3 26.6 0.4
O B:VAL75 4.3 19.5 0.4
C5 B:TJ0201 4.3 23.8 0.4
N B:ALA59 4.4 22.1 0.4
CB B:ILE74 4.4 19.0 1.0
CA B:LYS76 4.5 24.8 0.4
CA B:ALA59 4.6 21.8 0.4
C3 B:TJ0201 4.7 23.3 0.4
CA B:ASP58 4.7 23.8 0.4
C10 B:TJ0201 4.8 20.8 0.4
CA B:ILE74 4.9 18.0 1.0
NZ B:LYS76 5.0 31.3 0.4
C4 B:TJ0201 5.0 23.3 0.4

Fluorine binding site 3 out of 3 in 7gpj

Go back to Fluorine Binding Sites List in 7gpj
Fluorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z85249949


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 Z85249949 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:22.8
occ:0.42
 F2 B:TJ0201 0.0 22.8 0.4
C B:TJ0201 1.3 22.8 0.4
F1 B:TJ0201 2.1 23.8 0.4
F B:TJ0201 2.1 22.9 0.4
C1 B:TJ0201 2.4 22.8 0.4
C2 B:TJ0201 2.7 23.3 0.4
N B:ALA59 3.0 22.1 0.4
CA B:ALA59 3.0 21.8 0.4
C B:ALA59 3.1 21.3 0.4
O B:ILE74 3.2 18.0 1.0
N B:CYS60 3.4 21.2 0.4
C B:ASP58 3.5 22.5 0.4
O B:ALA59 3.5 19.1 0.4
CB B:ASP58 3.7 24.7 0.4
C6 B:TJ0201 3.7 23.4 0.4
CB B:CYS60 3.7 23.0 0.4
O B:ASP58 3.9 19.4 0.4
C3 B:TJ0201 4.1 23.3 0.4
C B:ILE74 4.1 18.4 1.0
CA B:ASP58 4.2 23.8 0.4
CA B:CYS60 4.2 21.3 0.4
C7 B:TJ0201 4.3 23.0 0.4
CA B:VAL75 4.5 20.6 0.4
CB B:ALA59 4.5 21.7 0.4
N B:VAL75 4.7 19.2 0.4
O B:TJ0201 4.7 26.1 0.4
CB B:ILE74 4.7 19.0 1.0
C5 B:TJ0201 4.8 23.8 0.4
CG2 B:ILE74 4.8 20.2 1.0
N B:LYS76 4.8 22.8 0.4
CG B:ASP58 4.9 25.1 0.4
C B:VAL75 4.9 21.6 0.4
N B:TJ0201 5.0 20.4 0.4
C4 B:TJ0201 5.0 23.3 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 07:43:28 2024

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