Fluorine in PDB 5evc: Crystal Structure of Putative Aspartate Racemase From Salmonella Typhimurium Complexed with Sulfate and Potassium

The structure of Crystal Structure of Putative Aspartate Racemase From Salmonella Typhimurium Complexed with Sulfate and Potassium, PDB code: 5evc was solved by N.Maltseva, Y.Kim, J.Stam, W.F.Anderson, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.96 / 1.70
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	85.328, 85.328, 113.997, 90.00, 90.00, 120.00
R / Rfree (%)	13.5 / 15.7

The structure of Crystal Structure of Putative Aspartate Racemase From Salmonella Typhimurium Complexed with Sulfate and Potassium also contains other interesting chemical elements:

Potassium	(K)	4 atoms
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of Putative Aspartate Racemase From Salmonella Typhimurium Complexed with Sulfate and Potassium (pdb code 5evc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Putative Aspartate Racemase From Salmonella Typhimurium Complexed with Sulfate and Potassium, PDB code: 5evc:

Fluorine binding site 1 out of 1 in the Crystal Structure of Putative Aspartate Racemase From Salmonella Typhimurium Complexed with Sulfate and Potassium


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 Putative Aspartate Racemase From Salmonella Typhimurium Complexed with Sulfate and Potassium within 5.0Å range: probe atom residue distance (Å) B Occ B:F303 b:8.4 occ:1.00 O B:HOH402 2.5 12.4 1.0 N B:ASN84 2.6 7.9 1.0 N B:THR194 2.7 7.8 1.0 K B:K301 2.9 12.3 1.0 ND2 B:ASN84 3.0 8.8 1.0 OG1 B:THR194 3.2 8.3 1.0 CA B:CYS193 3.3 7.9 1.0 CA B:CYS83 3.3 7.3 1.0 C B:CYS83 3.4 8.7 1.0 CG2 B:THR194 3.4 8.6 1.0 C B:CYS193 3.4 7.8 1.0 CB B:ASN84 3.5 8.8 1.0 CA B:ASN84 3.6 8.4 1.0 CB B:THR194 3.6 8.2 1.0 CG B:ASN84 3.7 9.9 1.0 CA B:THR194 3.7 7.9 1.0 O1 B:SO4302 3.9 18.0 1.0 CB B:CYS193 4.1 8.8 1.0 SG B:CYS193 4.2 11.0 1.0 SG B:CYS83 4.2 10.8 1.0 CB B:CYS83 4.3 7.1 1.0 N B:CYS83 4.3 7.3 1.0 N B:CYS193 4.4 10.9 1.0 N B:THR85 4.4 8.2 1.0 O B:GLY192 4.4 9.9 1.0 O B:HOH437 4.4 7.8 1.0 C B:ASN84 4.5 8.5 1.0 O B:PRO82 4.6 7.3 1.0 O B:CYS83 4.6 10.4 1.0 O B:CYS193 4.6 8.7 1.0 C B:GLY192 4.7 9.8 1.0 C B:PRO82 4.8 9.9 1.0 OE1 B:GLU195 4.8 8.7 1.0 C B:THR194 4.8 8.1 1.0 OD1 B:ASN84 4.9 11.1 1.0 N B:GLU195 4.9 8.4 1.0 O B:MET11 4.9 9.2 1.0

N.Maltseva, Y.Kim, J.Stam, W.F.Anderson, A.Joachimiak. Crystal Structure of Putative Aspartate Racemase From Salmonella Typhimurium Complexed with Sulfate and Potassium To Be Published.