Fluorine in PDB 7f9c: Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L96

All present enzymatic activity of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L96:
6.1.1.15; 6.1.1.17;

The structure of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L96, PDB code: 7f9c was solved by N.Malhotra, Y.Manickam, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.29 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.59, 91.66, 83.38, 90, 110.28, 90
R / Rfree (%)	18.8 / 25.3

The structure of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L96 also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Chlorine	(Cl)	4 atoms
Calcium	(Ca)	7 atoms

The binding sites of Fluorine atom in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L96 (pdb code 7f9c). 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 L96, PDB code: 7f9c:
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 L96


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 L96 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1901 b:48.5 occ:1.00 F A:1UI1901 0.0 48.5 1.0 C8 A:1UI1901 1.4 49.8 1.0 C9 A:1UI1901 2.3 51.7 1.0 C7 A:1UI1901 2.3 49.8 1.0 O A:LYS1156 3.1 50.2 1.0 CB A:PRO1158 3.2 41.6 1.0 CA A:PRO1158 3.3 42.6 1.0 NE A:ARG1165 3.4 76.4 1.0 N A:PRO1158 3.5 47.2 1.0 C10 A:1UI1901 3.6 45.6 1.0 C6 A:1UI1901 3.6 52.0 1.0 CD A:PRO1158 3.7 42.6 1.0 CG A:PRO1158 3.9 42.1 1.0 CG A:ARG1165 3.9 52.9 1.0 NH2 A:ARG1165 3.9 75.8 1.0 O A:GLU1154 4.0 59.1 1.0 C A:HIS1157 4.0 49.5 1.0 C A:LYS1156 4.1 58.4 1.0 C27 A:1UI1901 4.1 41.5 1.0 CZ A:ARG1165 4.1 78.9 1.0 CD A:ARG1165 4.3 62.6 1.0 O A:HIS1157 4.3 48.5 1.0 O A:ARG1163 4.4 40.8 1.0 C A:GLU1154 4.6 53.5 1.0 N A:ARG1165 4.7 42.7 1.0 C A:THR1164 4.8 44.7 1.0 C A:PRO1158 4.8 43.0 1.0 N A:LYS1156 4.8 55.3 1.0 C4 A:1UI1901 4.8 61.9 1.0 C11 A:1UI1901 4.8 47.2 1.0 N A:HIS1157 4.9 58.4 1.0 CA A:HIS1157 4.9 51.9 1.0 CA A:THR1164 4.9 48.5 1.0 CB A:ARG1165 4.9 40.3 1.0 CB A:GLU1154 4.9 42.2 1.0 C A:ARG1163 4.9 40.5 1.0 CA A:LYS1156 4.9 53.2 1.0

Fluorine binding site 2 out of 2 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L96


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 L96 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1901 b:46.0 occ:1.00 F B:1UI1901 0.0 46.0 1.0 C8 B:1UI1901 1.4 53.7 1.0 C7 B:1UI1901 2.3 45.8 1.0 C9 B:1UI1901 2.3 41.2 1.0 O B:LYS1156 3.1 64.1 1.0 CB B:PRO1158 3.3 48.9 1.0 CA B:PRO1158 3.4 44.5 1.0 N B:PRO1158 3.5 49.9 1.0 NE B:ARG1165 3.5 58.7 1.0 O B:GLU1154 3.6 49.7 1.0 C10 B:1UI1901 3.6 43.8 1.0 C6 B:1UI1901 3.6 48.9 1.0 CD B:PRO1158 3.7 51.6 1.0 CG B:ARG1165 3.7 47.0 1.0 C B:HIS1157 4.0 53.0 1.0 CG B:PRO1158 4.0 49.2 1.0 C B:LYS1156 4.1 45.1 1.0 C27 B:1UI1901 4.1 41.7 1.0 NH2 B:ARG1165 4.1 68.6 1.0 CD B:ARG1165 4.3 45.9 1.0 CZ B:ARG1165 4.3 70.0 1.0 O B:HIS1157 4.3 42.8 1.0 O B:ARG1163 4.4 48.5 1.0 C B:GLU1154 4.4 47.8 1.0 CB B:GLU1154 4.6 46.1 1.0 N B:ARG1165 4.7 44.4 1.0 N B:HIS1157 4.7 43.5 1.0 CA B:HIS1157 4.7 51.2 1.0 C4 B:1UI1901 4.8 57.9 1.0 C B:PRO1158 4.8 47.1 1.0 C B:THR1164 4.9 40.0 1.0 C11 B:1UI1901 4.9 44.0 1.0 CB B:ARG1165 4.9 40.2 1.0 N B:LYS1156 4.9 43.5 1.0 CA B:LYS1156 5.0 49.6 1.0

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