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Fluorine in PDB 5ry4: INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z300245038

Enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z300245038

All present enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z300245038:
3.1.3.36; 3.1.3.56; 3.1.3.86;

Protein crystallography data

The structure of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z300245038, PDB code: 5ry4 was solved by W.J.Bradshaw, J.A.Newman, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.25 / 1.47
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.470, 79.150, 89.350, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 19.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z300245038 (pdb code 5ry4). 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 INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z300245038, PDB code: 5ry4:

Fluorine binding site 1 out of 1 in 5ry4

Go back to Fluorine Binding Sites List in 5ry4
Fluorine binding site 1 out of 1 in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z300245038


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z300245038 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:18.1
occ:0.70
 F A:O0P901 0.0 18.1 0.7
C6 A:O0P901 1.4 17.6 0.7
C7 A:O0P901 2.4 17.8 0.7
C5 A:O0P901 2.4 17.6 0.7
CB A:LYS477 3.4 17.2 1.0
C2 A:O0P901 3.6 18.2 0.7
CG2 A:VAL479 3.6 12.3 1.0
C4 A:O0P901 3.6 18.1 0.7
CA A:GLU498 3.7 17.4 1.0
CB A:GLU498 3.9 18.6 1.0
C3 A:O0P901 4.1 18.2 0.7
CB A:ALA493 4.2 13.3 1.0
CG A:GLU498 4.2 21.8 1.0
CG A:LYS477 4.2 19.3 1.0
CD1 A:ILE501 4.3 17.2 1.0
N A:GLU498 4.4 16.1 1.0
O A:LYS477 4.5 14.5 1.0
C A:LYS477 4.6 14.5 1.0
O A:GLU498 4.7 18.2 1.0
CA A:LYS477 4.7 15.2 1.0
CA A:VAL479 4.7 12.2 1.0
CB A:VAL479 4.7 12.7 1.0
C A:GLU498 4.7 17.6 1.0
N A:VAL479 4.8 12.9 1.0
C1 A:O0P901 4.9 18.5 0.7
O A:LYS494 4.9 15.2 0.2
O A:LYS494 4.9 15.2 0.2
C A:HIS497 4.9 15.3 1.0
O A:ALA493 4.9 13.7 1.0
O A:HIS497 4.9 14.8 1.0
C A:THR478 5.0 14.7 1.0
O A:THR478 5.0 16.3 1.0

Reference:

W.J.Bradshaw, J.A.Newman, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi. INPP5D Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 14:02:36 2024

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