Fluorine in PDB 7f9d: 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: 7f9d 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)	44.13 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.49, 106.13, 145.55, 90, 90, 90
R / Rfree (%)	18.7 / 26.3

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)	6 atoms
Calcium	(Ca)	4 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 7f9d). 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: 7f9d:
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:74.5 occ:1.00 F A:1UI1901 0.0 74.5 1.0 C8 A:1UI1901 1.4 60.0 1.0 C9 A:1UI1901 2.3 53.0 1.0 C7 A:1UI1901 2.3 54.8 1.0 CB A:PRO1158 3.1 51.5 1.0 O A:LYS1156 3.2 74.8 1.0 CG A:ARG1165 3.4 59.9 1.0 CA A:PRO1158 3.4 51.3 1.0 CD A:ARG1165 3.5 65.6 1.0 N A:PRO1158 3.6 55.9 1.0 C10 A:1UI1901 3.6 58.0 1.0 C6 A:1UI1901 3.6 55.0 1.0 O A:GLU1154 3.9 60.4 1.0 CG A:PRO1158 3.9 50.6 1.0 CD A:PRO1158 3.9 53.8 1.0 C A:HIS1157 4.1 58.9 1.0 C27 A:1UI1901 4.1 55.2 1.0 O A:ARG1163 4.1 40.4 1.0 C A:LYS1156 4.2 65.4 1.0 NH1 A:ARG1165 4.3 87.6 1.0 O A:HIS1157 4.4 60.0 1.0 NE A:ARG1165 4.6 76.2 1.0 N A:ARG1165 4.6 41.5 1.0 C A:THR1164 4.6 48.7 1.0 C A:GLU1154 4.6 61.0 1.0 CB A:GLU1154 4.7 60.3 1.0 CA A:THR1164 4.7 50.7 1.0 C A:ARG1163 4.7 50.0 1.0 CB A:ARG1165 4.7 49.8 1.0 C4 A:1UI1901 4.9 67.4 1.0 C11 A:1UI1901 4.9 58.8 1.0 CZ A:ARG1165 4.9 83.4 1.0 C A:PRO1158 4.9 50.5 1.0 CA A:HIS1157 4.9 56.4 1.0 N A:HIS1157 4.9 58.3 1.0 CA A:GLY1045 5.0 59.6 1.0 N A:THR1164 5.0 46.8 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:F1602 b:55.6 occ:0.87 F B:1UI1602 0.0 55.6 0.9 C8 B:1UI1602 1.4 48.7 0.9 C9 B:1UI1602 2.3 38.5 0.9 C7 B:1UI1602 2.3 45.2 0.9 O B:LYS1156 3.1 64.1 1.0 CB B:PRO1158 3.4 53.4 1.0 CA B:PRO1158 3.4 50.9 1.0 N B:PRO1158 3.5 56.4 1.0 C10 B:1UI1602 3.6 41.1 0.9 C6 B:1UI1602 3.6 38.3 0.9 O B:GLU1154 3.7 52.9 1.0 CG B:ARG1165 3.7 54.8 1.0 CD B:PRO1158 3.8 46.7 1.0 NE B:ARG1165 3.9 74.7 1.0 CG B:PRO1158 4.1 47.0 1.0 C27 B:1UI1602 4.1 36.0 0.9 C B:HIS1157 4.1 61.8 1.0 C B:LYS1156 4.2 54.5 1.0 O B:ARG1163 4.2 54.6 1.0 CD B:ARG1165 4.4 61.4 1.0 CZ B:ARG1165 4.4 81.5 1.0 N B:ARG1165 4.4 45.0 1.0 O B:HIS1157 4.5 69.5 1.0 C B:GLU1154 4.6 43.0 1.0 NH2 B:ARG1165 4.6 78.8 1.0 C B:ARG1163 4.7 49.6 1.0 C B:THR1164 4.7 53.5 1.0 CA B:THR1164 4.7 47.8 1.0 C B:PRO1158 4.8 52.2 1.0 C11 B:1UI1602 4.9 34.5 0.9 C4 B:1UI1602 4.9 39.1 0.9 N B:LYS1156 4.9 56.8 1.0 N B:THR1164 4.9 39.9 1.0 CB B:GLU1154 5.0 42.0 1.0 CB B:ARG1165 5.0 43.3 1.0 N B:HIS1157 5.0 59.9 1.0 CA B:ARG1165 5.0 45.2 1.0

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