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Fluorine in PDB 7h6v: Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z1262633486 (CHIKV_MACB-X0394)
Enzymatic activity of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z1262633486 (CHIKV_MACB-X0394)
All present enzymatic activity of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z1262633486 (CHIKV_MACB-X0394):
3.1.3.84;
3.1.3.84;
Protein crystallography data
The structure of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z1262633486 (CHIKV_MACB-X0394), PDB code: 7h6v
was solved by
J.C.Aschenbrenner,
M.Fairhead,
A.S.Godoy,
B.H.Balcomb,
E.Capkin,
A.V.Chandran,
I.Dolci,
M.Golding,
L.Koekemoer,
R.M.Lithgo,
P.G.Marples,
X.Ni,
G.Oliva,
W.Thompson,
C.W.E.Tomlinson,
C.Wild,
M.Winokan,
M.-A.E.Xavier,
D.Fearon,
F.Von Delft,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 75.66 / 1.43 |
| Space group | P 31 |
| Cell size a, b, c (Å), α, β, γ (°) | 87.362, 87.362, 85.726, 90, 90, 120 |
| R / Rfree (%) | 17.9 / 20.6 |
Other elements in 7h6v:
The structure of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z1262633486 (CHIKV_MACB-X0394) also contains other interesting chemical elements:
| Chlorine | (Cl) | 10 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z1262633486 (CHIKV_MACB-X0394)
(pdb code 7h6v). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z1262633486 (CHIKV_MACB-X0394), PDB code: 7h6v:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z1262633486 (CHIKV_MACB-X0394), PDB code: 7h6v:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 7h6v
Go back to
Fluorine Binding Sites List in 7h6v
Fluorine binding site 1 out
of 2 in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z1262633486 (CHIKV_MACB-X0394)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z1262633486 (CHIKV_MACB-X0394) within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 7h6v
Go back to
Fluorine Binding Sites List in 7h6v
Fluorine binding site 2 out
of 2 in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z1262633486 (CHIKV_MACB-X0394)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z1262633486 (CHIKV_MACB-X0394) within 5.0Å range:
|
Reference:
J.C.Aschenbrenner,
M.Fairhead,
A.S.Godoy,
B.H.Balcomb,
E.Capkin,
A.V.Chandran,
I.Dolci,
M.Golding,
L.Koekemoer,
R.M.Lithgo,
P.G.Marples,
X.Ni,
G.Oliva,
W.Thompson,
C.W.E.Tomlinson,
C.Wild,
M.Winokan,
M.-A.E.Xavier,
D.Fearon,
F.Von Delft.
Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain To Be Published.
Page generated: Fri Aug 2 07:47:24 2024
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