Fluorine in PDB 8ufx: Caii with Slc Compound

All present enzymatic activity of Caii with Slc Compound:
4.2.1.1;

The structure of Caii with Slc Compound, PDB code: 8ufx was solved by T.S.Peat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.07 / 1.21
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.471, 41.375, 71.827, 90, 104.38, 90
R / Rfree (%)	12.4 / 14.7

The structure of Caii with Slc Compound also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Fluorine atom in the Caii with Slc Compound (pdb code 8ufx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Caii with Slc Compound, PDB code: 8ufx:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Caii with Slc Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Caii with Slc Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:45.4 occ:1.00 F20 A:WJN301 0.0 45.4 1.0 C19 A:WJN301 1.3 26.4 1.0 F22 A:WJN301 2.2 39.2 1.0 F21 A:WJN301 2.2 33.8 1.0 C18 A:WJN301 2.3 26.3 1.0 C17 A:WJN301 2.6 27.4 1.0 C23 A:WJN301 3.6 24.1 1.0 C16 A:WJN301 4.0 24.1 1.0 O A:HOH585 4.2 31.7 1.0 C24 A:WJN301 4.7 22.2 1.0 C15 A:WJN301 4.8 19.9 1.0

Fluorine binding site 2 out of 3 in the Caii with Slc Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Caii with Slc Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:33.8 occ:1.00 F21 A:WJN301 0.0 33.8 1.0 C19 A:WJN301 1.3 26.4 1.0 F22 A:WJN301 2.1 39.2 1.0 F20 A:WJN301 2.2 45.4 1.0 C18 A:WJN301 2.5 26.3 1.0 C23 A:WJN301 3.0 24.1 1.0 CD1 A:ILE91 3.6 18.0 1.0 C17 A:WJN301 3.6 27.4 1.0 CB A:PHE131 4.0 12.7 1.0 O A:HOH593 4.1 26.1 1.0 C24 A:WJN301 4.4 22.2 1.0 O A:HOH585 4.4 31.7 1.0 CG A:PHE131 4.5 12.1 1.0 CD2 A:PHE131 4.6 13.5 1.0 C16 A:WJN301 4.7 24.1 1.0 CG1 A:ILE91 4.8 14.4 1.0

Fluorine binding site 3 out of 3 in the Caii with Slc Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Caii with Slc Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:39.2 occ:1.00 F22 A:WJN301 0.0 39.2 1.0 C19 A:WJN301 1.3 26.4 1.0 F21 A:WJN301 2.1 33.8 1.0 F20 A:WJN301 2.2 45.4 1.0 C18 A:WJN301 2.4 26.3 1.0 C23 A:WJN301 3.2 24.1 1.0 C17 A:WJN301 3.4 27.4 1.0 C24 A:WJN301 4.5 22.2 1.0 C16 A:WJN301 4.6 24.1 1.0 CD1 A:ILE91 4.7 18.0 1.0 O A:HOH565 4.9 41.7 1.0

T.S.Peat, T.S.Peat. N/A N/A.