Fluorine in PDB 8ufw: CA9 Mimic with Slc Compound

All present enzymatic activity of CA9 Mimic with Slc Compound:
4.2.1.1;

The structure of CA9 Mimic with Slc Compound, PDB code: 8ufw 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)	39.66 / 1.22
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.985, 41.414, 72.309, 90, 103.97, 90
R / Rfree (%)	11.3 / 14.3

The structure of CA9 Mimic with Slc Compound also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the CA9 Mimic with Slc Compound (pdb code 8ufw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the CA9 Mimic with Slc Compound, PDB code: 8ufw:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the CA9 Mimic 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 CA9 Mimic with Slc Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:31.9 occ:1.00 F20 A:WJN302 0.0 31.9 1.0 C19 A:WJN302 1.4 15.4 1.0 F21 A:WJN302 2.2 29.2 1.0 F22 A:WJN302 2.3 32.2 1.0 C18 A:WJN302 2.4 21.2 1.0 C17 A:WJN302 2.8 22.4 1.0 O A:HOH609 3.3 37.0 1.0 CG1 A:VAL131 3.5 14.9 1.0 C23 A:WJN302 3.7 23.0 1.0 C16 A:WJN302 4.2 20.6 1.0 O A:HOH647 4.2 23.8 1.0 O A:HOH593 4.4 38.9 1.0 C24 A:WJN302 4.8 22.0 1.0 C15 A:WJN302 5.0 19.8 1.0

Fluorine binding site 2 out of 3 in the CA9 Mimic 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 CA9 Mimic with Slc Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:29.2 occ:1.00 F21 A:WJN302 0.0 29.2 1.0 C19 A:WJN302 1.3 15.4 1.0 F22 A:WJN302 2.1 32.2 1.0 F20 A:WJN302 2.2 31.9 1.0 C18 A:WJN302 2.4 21.2 1.0 O A:HOH593 2.8 38.9 1.0 C23 A:WJN302 2.9 23.0 1.0 C17 A:WJN302 3.6 22.4 1.0 CG1 A:VAL131 3.6 14.9 1.0 CD1 A:LEU91 4.0 20.1 1.0 CD2 A:LEU91 4.2 24.8 1.0 C24 A:WJN302 4.2 22.0 1.0 O A:HOH647 4.6 23.8 1.0 O A:HOH609 4.7 37.0 1.0 C16 A:WJN302 4.7 20.6 1.0 O A:HOH406 4.7 27.4 1.0 CG A:LEU91 4.8 16.9 1.0 CB A:VAL131 4.9 13.3 1.0 O A:HOH510 5.0 25.6 1.0 C15 A:WJN302 5.0 19.8 1.0

Fluorine binding site 3 out of 3 in the CA9 Mimic 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 CA9 Mimic with Slc Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:32.2 occ:1.00 F22 A:WJN302 0.0 32.2 1.0 C19 A:WJN302 1.4 15.4 1.0 F21 A:WJN302 2.1 29.2 1.0 F20 A:WJN302 2.3 31.9 1.0 C18 A:WJN302 2.5 21.2 1.0 C23 A:WJN302 3.2 23.0 1.0 C17 A:WJN302 3.5 22.4 1.0 C24 A:WJN302 4.5 22.0 1.0 O A:HOH593 4.6 38.9 1.0 C16 A:WJN302 4.7 20.6 1.0 O A:HOH406 4.9 27.4 1.0

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