Fluorine in PDB 7f9a: Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97

All present enzymatic activity of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97:
6.1.1.15; 6.1.1.17;

The structure of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97, PDB code: 7f9a was solved by Y.Manickam, N.Malhotra, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.93 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.74, 105.92, 145.38, 90, 90, 90
R / Rfree (%)	19.5 / 24.2

The structure of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97 also contains other interesting chemical elements:

Calcium	(Ca)	10 atoms
Zinc	(Zn)	2 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Fluorine atom in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97 (pdb code 7f9a). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97, PDB code: 7f9a:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1901 b:49.4 occ:1.00 F A:1XK1901 0.0 49.4 1.0 C10 A:1XK1901 1.4 45.5 1.0 C9 A:1XK1901 2.3 45.4 1.0 C11 A:1XK1901 2.4 39.3 1.0 CB A:PRO1158 3.2 50.8 1.0 O A:LYS1156 3.3 65.2 1.0 CG A:ARG1165 3.5 45.8 1.0 C8 A:1XK1901 3.6 43.6 1.0 CA A:PRO1158 3.6 49.0 1.0 C12 A:1XK1901 3.6 45.3 1.0 N A:PRO1158 3.8 51.4 1.0 O A:GLU1154 3.9 51.5 1.0 CG A:PRO1158 4.0 50.4 1.0 C13 A:1XK1901 4.1 42.4 1.0 CD A:PRO1158 4.1 51.0 1.0 N A:ARG1165 4.2 45.1 1.0 NE A:ARG1165 4.2 62.9 1.0 O A:ARG1163 4.3 44.6 1.0 CD A:ARG1165 4.3 50.4 1.0 C A:HIS1157 4.4 52.8 1.0 C A:LYS1156 4.4 57.7 1.0 C A:THR1164 4.5 49.8 1.0 CA A:THR1164 4.5 42.7 1.0 C A:GLU1154 4.6 56.3 1.0 CB A:ARG1165 4.6 44.0 1.0 CB A:GLU1154 4.7 51.8 1.0 CA A:ARG1165 4.7 44.3 1.0 O A:HIS1157 4.8 52.0 1.0 C A:ARG1163 4.8 48.2 1.0 C7 A:1XK1901 4.8 49.5 1.0 C14 A:1XK1901 4.9 56.1 1.0 N A:THR1164 5.0 41.9 1.0

Fluorine binding site 2 out of 2 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1901 b:56.5 occ:0.95 F B:1XK1901 0.0 56.5 0.9 C10 B:1XK1901 1.4 51.4 0.9 C9 B:1XK1901 2.3 45.1 0.9 C11 B:1XK1901 2.3 48.5 0.9 CB B:PRO1158 3.1 56.3 1.0 CA B:PRO1158 3.4 51.8 1.0 CG B:ARG1165 3.4 55.0 1.0 O B:LYS1156 3.5 59.0 1.0 C12 B:1XK1901 3.6 49.1 0.9 C8 B:1XK1901 3.6 43.8 0.9 N B:PRO1158 3.6 58.5 1.0 NE B:ARG1165 3.8 75.3 1.0 O B:GLU1154 3.8 48.6 1.0 CG B:PRO1158 3.8 60.7 1.0 CD B:PRO1158 3.9 60.4 1.0 C13 B:1XK1901 4.1 51.4 0.9 CZ B:ARG1165 4.1 83.0 1.0 O B:ARG1163 4.2 46.1 1.0 C B:HIS1157 4.2 62.2 1.0 N B:ARG1165 4.2 41.2 1.0 CD B:ARG1165 4.2 57.6 1.0 NH2 B:ARG1165 4.3 72.9 1.0 C B:LYS1156 4.4 60.0 1.0 C B:THR1164 4.6 47.1 1.0 CA B:THR1164 4.6 44.5 1.0 O B:HIS1157 4.6 58.9 1.0 C B:GLU1154 4.6 51.0 1.0 CB B:ARG1165 4.7 41.1 1.0 CA B:ARG1165 4.7 47.1 1.0 C B:ARG1163 4.8 47.2 1.0 CB B:GLU1154 4.8 53.1 1.0 NH1 B:ARG1165 4.8 80.3 1.0 C14 B:1XK1901 4.8 49.8 0.9 C B:PRO1158 4.8 49.3 1.0 C7 B:1XK1901 4.9 42.1 0.9 N B:THR1164 4.9 46.1 1.0

N.Malhotra, Y.Manickam, A.Sharma. Hsprs with Atp Binding Pocket Inhibitor To Be Published.