Fluorine in PDB 7k89: Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate

All present enzymatic activity of Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate:
3.1.1.64; 5.3.3.22;

The structure of Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate, PDB code: 7k89 was solved by P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.84 / 2.15
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	175.695, 175.695, 86.214, 90, 90, 120
R / Rfree (%)	18.9 / 21.7

The structure of Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate (pdb code 7k89). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate, PDB code: 7k89:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate within 5.0Å range: probe atom residue distance (Å) B Occ A:F605 b:66.9 occ:1.00 F A:W4J605 0.0 66.9 1.0 C13 A:W4J605 1.4 66.0 1.0 C5 A:W4J605 2.3 69.4 1.0 C14 A:W4J605 2.4 63.3 1.0 O1 A:W4J605 2.6 75.0 1.0 CD2 A:TYR275 3.1 48.5 1.0 CE2 A:TYR275 3.2 49.0 1.0 CG A:TYR275 3.5 48.0 1.0 C6 A:W4J605 3.5 79.0 1.0 CZ A:TYR275 3.5 48.6 1.0 C15 A:W4J605 3.6 62.0 1.0 C4 A:W4J605 3.6 66.4 1.0 C8 A:W4J605 3.7 84.5 1.0 CG2 A:THR149 3.7 40.0 1.0 CD1 A:TYR275 3.8 48.4 1.0 C7 A:W4J605 3.8 82.2 1.0 CE1 A:TYR275 3.8 48.4 1.0 C3 A:W4J605 4.1 62.4 1.0 CB A:TYR275 4.3 47.5 1.0 OH A:TYR275 4.3 48.9 1.0 CG2 A:THR129 4.4 39.1 1.0 CD1 A:PHE103 4.6 46.4 1.0 C9 A:W4J605 4.8 85.6 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate within 5.0Å range: probe atom residue distance (Å) B Occ B:F605 b:66.1 occ:1.00 F B:W4J605 0.0 66.1 1.0 C13 B:W4J605 1.3 66.4 1.0 C5 B:W4J605 2.3 69.6 1.0 C14 B:W4J605 2.4 65.0 1.0 O1 B:W4J605 2.6 77.4 1.0 CD2 B:TYR275 3.1 45.1 1.0 CE2 B:TYR275 3.2 45.0 1.0 C6 B:W4J605 3.5 82.0 1.0 CG B:TYR275 3.5 44.7 1.0 CZ B:TYR275 3.5 45.4 1.0 C8 B:W4J605 3.6 87.6 1.0 C15 B:W4J605 3.6 63.8 1.0 C4 B:W4J605 3.6 66.2 1.0 CG2 B:THR149 3.7 40.4 1.0 C7 B:W4J605 3.7 85.9 1.0 CD1 B:TYR275 3.8 45.3 1.0 CE1 B:TYR275 3.8 45.8 1.0 C3 B:W4J605 4.1 62.4 1.0 OH B:TYR275 4.3 46.0 1.0 CB B:TYR275 4.3 44.5 1.0 CG2 B:THR129 4.4 40.0 1.0 C9 B:W4J605 4.6 90.0 1.0 CD1 B:PHE103 4.6 43.0 1.0

P.D.Kiser, P.D.Kiser. N/A N/A.