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Fluorine in PDB 5r5m: Pandda Analysis Group Deposition -- Crystal Structure of Human NUDT22 in Complex with N14123A

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Human NUDT22 in Complex with N14123A

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Human NUDT22 in Complex with N14123A:
3.6.1.45;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Human NUDT22 in Complex with N14123A, PDB code: 5r5m was solved by L.Diaz-Saez, R.Talon, T.Krojer, N.A.Burgess-Brown, C.H.Arrowsmith, A.M.Edwards, C.Bountra, F.Von Delft, K.V.M.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.26 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.450, 52.320, 101.410, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 23

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Human NUDT22 in Complex with N14123A (pdb code 5r5m). 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 Human NUDT22 in Complex with N14123A, PDB code: 5r5m:

Fluorine binding site 1 out of 1 in 5r5m

Go back to Fluorine Binding Sites List in 5r5m
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Human NUDT22 in Complex with N14123A


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 Human NUDT22 in Complex with N14123A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:33.2
occ:0.50
 F1 A:S2V401 0.0 33.2 0.5
C12 A:S2V401 1.4 31.8 0.5
C13 A:S2V401 2.3 30.8 0.5
C11 A:S2V401 2.3 31.2 0.5
CB A:ALA58 2.9 24.6 1.0
CB A:TYR87 3.3 22.1 0.5
N A:ALA58 3.3 22.7 1.0
CD2 A:TYR87 3.5 24.5 0.5
CG A:TYR87 3.5 22.7 0.5
C10 A:S2V401 3.6 31.6 0.5
C8 A:S2V401 3.6 31.9 0.5
CA A:ALA58 3.7 23.8 1.0
C A:ASP57 3.7 25.6 1.0
O A:PHE56 3.8 23.8 0.5
C9 A:S2V401 4.1 31.5 0.5
O A:ASP57 4.2 25.8 1.0
CE A:LYS60 4.4 25.1 0.5
CA A:ASP57 4.4 22.8 1.0
O A:ALA58 4.4 22.2 1.0
OE2 A:GLU158 4.4 41.5 0.5
CE2 A:TYR87 4.5 24.5 0.5
CD1 A:TYR87 4.5 23.9 0.5
C A:ALA58 4.5 24.1 1.0
CE1 A:PHE56 4.6 27.8 0.5
C A:PHE56 4.6 24.2 0.5
CD1 A:PHE56 4.6 27.5 0.5
CA A:TYR87 4.7 21.0 0.5
C7 A:S2V401 4.8 34.3 0.5
NZ A:LYS60 4.8 26.4 0.5
N A:ASP57 4.9 23.0 1.0

Reference:

L.Diaz-Saez, R.Talon, T.Krojer, N.A.Burgess-Brown, C.H.Arrowsmith, A.M.Edwards, C.Bountra, F.Von Delft, K.V.M.Huber. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 13:37:06 2024

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