Fluorine in PDB 8eyu: Structure of Beetroot Dimer Bound to Dfame

The structure of Structure of Beetroot Dimer Bound to Dfame, PDB code: 8eyu was solved by L.F.M.Passalacqua, A.R.Ferre-D'amare, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.66 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	29.937, 50.742, 95.555, 90, 94.08, 90
R / Rfree (%)	17.8 / 20.4

The structure of Structure of Beetroot Dimer Bound to Dfame also contains other interesting chemical elements:

Potassium

(K)

5 atoms

The binding sites of Fluorine atom in the Structure of Beetroot Dimer Bound to Dfame (pdb code 8eyu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of Beetroot Dimer Bound to Dfame, PDB code: 8eyu:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of Beetroot Dimer Bound to Dfame


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Beetroot Dimer Bound to Dfame within 5.0Å range: probe atom residue distance (Å) B Occ B:F103 b:49.0 occ:1.00 F14 B:X5R103 0.0 49.0 1.0 C13 B:X5R103 1.4 45.7 1.0 C15 B:X5R103 2.4 48.4 1.0 C12 B:X5R103 2.4 42.7 1.0 O16 B:X5R103 2.7 50.5 1.0 O5' B:G17 3.3 31.6 1.0 C8 B:A16 3.5 38.0 1.0 C3' B:A16 3.6 40.9 1.0 C17 B:X5R103 3.6 49.6 1.0 C8 B:G17 3.6 24.8 1.0 C11 B:X5R103 3.6 43.5 1.0 OP2 B:G17 3.7 37.2 1.0 N7 B:A16 3.8 37.7 1.0 N9 B:A16 3.8 38.1 1.0 C2' B:A16 3.9 41.2 1.0 N7 B:G17 4.0 24.6 1.0 N9 B:G17 4.0 24.1 1.0 P B:G17 4.0 36.1 1.0 O4' B:G17 4.1 25.9 1.0 C5' B:G17 4.1 29.7 1.0 C19 B:X5R103 4.1 45.2 1.0 O5' B:A16 4.2 49.4 1.0 O3' B:A16 4.2 38.0 1.0 C5 B:A16 4.2 37.2 1.0 C4 B:A16 4.3 37.5 1.0 C1' B:A16 4.4 41.0 1.0 C5 B:G17 4.5 23.6 1.0 C1' B:G17 4.5 24.2 1.0 C4 B:G17 4.5 23.3 1.0 C4' B:G17 4.7 27.0 1.0 C4' B:A16 4.7 43.5 1.0 F18 B:X5R103 4.7 55.8 1.0 C2' B:G17 4.8 25.2 1.0 O B:HOH222 4.8 26.9 1.0 OP2 B:A16 4.8 54.1 1.0 O4' B:A16 4.8 43.2 1.0 C10 B:X5R103 4.8 41.2 1.0

Fluorine binding site 2 out of 4 in the Structure of Beetroot Dimer Bound to Dfame


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Beetroot Dimer Bound to Dfame within 5.0Å range: probe atom residue distance (Å) B Occ B:F103 b:55.8 occ:1.00 F18 B:X5R103 0.0 55.8 1.0 C17 B:X5R103 1.4 49.6 1.0 C19 B:X5R103 2.4 45.2 1.0 C15 B:X5R103 2.4 48.4 1.0 O B:HOH208 2.7 51.5 1.0 O16 B:X5R103 2.7 50.5 1.0 O6 B:G17 3.1 25.4 1.0 N6 B:A16 3.3 39.8 1.0 C6 B:G17 3.4 24.6 1.0 C13 B:X5R103 3.6 45.7 1.0 C11 B:X5R103 3.6 43.5 1.0 O B:HOH253 3.8 48.9 1.0 C5 B:G17 3.9 23.6 1.0 C6 B:A16 3.9 38.0 1.0 N1 B:G17 4.0 22.8 1.0 C12 B:X5R103 4.1 42.7 1.0 N7 B:G17 4.3 24.6 1.0 C5 B:A16 4.4 37.2 1.0 N7 B:A16 4.4 37.7 1.0 F14 B:X5R103 4.7 49.0 1.0 N1 B:A16 4.8 37.0 1.0 C4 B:G17 4.8 23.3 1.0 C10 B:X5R103 4.8 41.2 1.0 C5 B:U26 4.9 23.8 1.0 N08 B:X5R103 4.9 42.8 1.0 C2 B:G17 4.9 22.2 1.0 O2' B:G22 4.9 23.2 1.0

Fluorine binding site 3 out of 4 in the Structure of Beetroot Dimer Bound to Dfame


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Beetroot Dimer Bound to Dfame within 5.0Å range: probe atom residue distance (Å) B Occ A:F104 b:48.2 occ:1.00 F14 A:X5R104 0.0 48.2 1.0 C13 A:X5R104 1.4 47.0 1.0 C12 A:X5R104 2.4 44.0 1.0 C15 A:X5R104 2.4 50.3 1.0 O16 A:X5R104 2.8 53.6 1.0 C8 A:A16 3.3 29.7 1.0 N7 A:A16 3.5 28.6 1.0 O5' A:G17 3.6 29.8 1.0 C8 A:G17 3.6 20.5 1.0 OP2 A:G17 3.6 31.0 1.0 C17 A:X5R104 3.6 51.8 1.0 C11 A:X5R104 3.6 44.0 1.0 C3' A:A16 3.7 33.5 1.0 N9 A:A16 3.8 29.7 1.0 N7 A:G17 3.8 20.1 1.0 O5' A:A16 4.0 34.7 1.0 C2' A:A16 4.1 32.9 1.0 C5 A:A16 4.1 28.8 1.0 C19 A:X5R104 4.1 48.1 1.0 O A:HOH265 4.1 28.3 1.0 N9 A:G17 4.1 19.9 1.0 P A:G17 4.2 31.8 1.0 O A:HOH245 4.2 28.0 1.0 C4 A:A16 4.3 29.1 1.0 O4' A:G17 4.3 21.6 1.0 C5' A:G17 4.4 26.6 1.0 O3' A:A16 4.4 34.0 1.0 C1' A:A16 4.4 31.2 1.0 OP2 A:A16 4.5 37.6 1.0 C5 A:G17 4.5 19.1 1.0 C4 A:G17 4.7 19.0 1.0 C4' A:A16 4.7 32.6 1.0 C1' A:G17 4.7 20.3 1.0 F18 A:X5R104 4.7 56.1 1.0 O4' A:A16 4.8 34.0 1.0 C10 A:X5R104 4.9 40.3 1.0 P A:A16 4.9 37.1 1.0 C5' A:A16 4.9 33.6 1.0 C4' A:G17 5.0 22.9 1.0

Fluorine binding site 4 out of 4 in the Structure of Beetroot Dimer Bound to Dfame


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Beetroot Dimer Bound to Dfame within 5.0Å range: probe atom residue distance (Å) B Occ A:F104 b:56.1 occ:1.00 F18 A:X5R104 0.0 56.1 1.0 C17 A:X5R104 1.4 51.8 1.0 C19 A:X5R104 2.4 48.1 1.0 C15 A:X5R104 2.4 50.3 1.0 O A:HOH240 2.6 40.3 1.0 O16 A:X5R104 2.7 53.6 1.0 O6 A:G17 3.0 18.8 1.0 C6 A:G17 3.4 18.6 1.0 N6 A:A16 3.5 30.2 1.0 C13 A:X5R104 3.6 47.0 1.0 C11 A:X5R104 3.6 44.0 1.0 C5 A:G17 3.9 19.1 1.0 N1 A:G17 4.0 17.9 1.0 C12 A:X5R104 4.1 44.0 1.0 C6 A:A16 4.2 30.0 1.0 N7 A:G17 4.2 20.1 1.0 O2' A:G22 4.5 19.2 1.0 N7 A:A16 4.6 28.6 1.0 C5 A:A16 4.6 28.8 1.0 F14 A:X5R104 4.7 48.2 1.0 N08 A:X5R104 4.8 36.6 1.0 C10 A:X5R104 4.8 40.3 1.0 C4 A:G17 4.9 19.0 1.0 O A:HOH245 4.9 28.0 1.0

L.F.M.Passalacqua, A.R.Ferre-D'amare. Structure of Beetroot Dimer Bound to Dfame To Be Published.