Fluorine in PDB 8itb: Phosphoglycerate Mutase 1 Complexed with A Compound

All present enzymatic activity of Phosphoglycerate Mutase 1 Complexed with A Compound:
5.4.2.11; 5.4.2.4;

The structure of Phosphoglycerate Mutase 1 Complexed with A Compound, PDB code: 8itb was solved by L.Zhou, L.L.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.50 / 2.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.956, 89.336, 93.048, 90, 90, 90
R / Rfree (%)	19.1 / 24.3

The structure of Phosphoglycerate Mutase 1 Complexed with A Compound also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

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

Fluorine binding site 1 out of 2 in the Phosphoglycerate Mutase 1 Complexed with A Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Phosphoglycerate Mutase 1 Complexed with A Compound within 5.0Å range: probe atom residue distance (Å) B Occ C:F302 b:63.1 occ:1.00 F C:Q9R302 0.0 63.1 1.0 C02 C:Q9R302 1.3 59.7 1.0 C01 C:Q9R302 2.4 61.2 1.0 C03 C:Q9R302 2.4 53.2 1.0 H01 C:Q9R302 2.6 63.9 1.0 CL C:Q9R302 2.9 70.0 1.0 CD1 C:LEU95 3.4 50.5 1.0 CB C:TRP115 3.4 51.2 1.0 C04 C:Q9R302 3.6 61.8 1.0 C06 C:Q9R302 3.6 64.0 1.0 CG C:TRP115 3.8 51.7 1.0 CB C:PRO123 3.9 50.6 1.0 CE3 C:TRP115 4.0 50.7 1.0 CD2 C:TRP115 4.0 50.0 1.0 C05 C:Q9R302 4.1 67.5 1.0 CG C:PRO123 4.4 51.9 1.0 H02 C:Q9R302 4.4 74.2 1.0 H03 C:Q9R302 4.4 76.9 1.0 CA C:TRP115 4.6 53.0 1.0 C C:TRP115 4.7 54.5 1.0 CG C:LEU95 4.7 49.7 1.0 CD1 C:TRP115 4.8 47.9 1.0 CD1 C:TYR92 4.8 48.1 1.0 CD C:PRO123 4.8 52.9 1.0 CA C:PRO123 4.9 46.7 1.0 O C:TRP115 4.9 58.8 1.0 CZ3 C:TRP115 4.9 47.0 1.0

Fluorine binding site 2 out of 2 in the Phosphoglycerate Mutase 1 Complexed with A Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Phosphoglycerate Mutase 1 Complexed with A Compound within 5.0Å range: probe atom residue distance (Å) B Occ C:F303 b:46.3 occ:1.00 F C:Q9R303 0.0 46.3 1.0 C02 C:Q9R303 1.3 47.1 1.0 C01 C:Q9R303 2.3 50.5 1.0 C03 C:Q9R303 2.4 44.3 1.0 H01 C:Q9R303 2.6 53.3 1.0 CL C:Q9R303 2.9 55.6 1.0 CB C:ALA104 3.5 35.5 1.0 C04 C:Q9R303 3.6 48.5 1.0 C06 C:Q9R303 3.6 47.8 1.0 O C:ALA104 3.9 35.7 1.0 N C:GLU109 4.0 44.5 1.0 CA C:ALA104 4.1 42.5 1.0 C C:ALA104 4.1 37.1 1.0 C05 C:Q9R303 4.1 48.6 1.0 CB C:GLU109 4.3 45.3 1.0 H03 C:Q9R303 4.4 57.5 1.0 H02 C:Q9R303 4.4 58.2 1.0 C C:GLY108 4.4 42.9 1.0 CA C:GLU109 4.4 47.7 1.0 CA C:GLY108 4.4 40.7 1.0 N C:ALA105 4.9 40.8 1.0

L.Zhou, L.L.Jiang. Phosphoglycerate Mutase 1 Complexed with A Compound To Be Published.