Fluorine in PDB 7f99: 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: 7f99 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)	78.25 / 1.98
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.471, 91.518, 83.335, 90, 110.11, 90
R / Rfree (%)	18.1 / 22.8

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

Chlorine	(Cl)	3 atoms
Zinc	(Zn)	2 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 7f99). 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: 7f99:
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:29.3 occ:0.93 F A:1UI1901 0.0 29.3 0.9 C8 A:1UI1901 1.4 31.5 0.9 C7 A:1UI1901 2.3 26.4 0.9 C9 A:1UI1901 2.3 29.7 0.9 CB A:PRO1158 3.2 36.0 1.0 O A:LYS1156 3.3 33.7 1.0 CA A:PRO1158 3.5 31.3 1.0 NH1 A:ARG1165 3.5 71.8 1.0 CZ A:ARG1165 3.5 63.1 1.0 N A:PRO1158 3.6 27.2 1.0 C10 A:1UI1901 3.6 27.4 0.9 C6 A:1UI1901 3.6 28.9 0.9 CG A:ARG1165 3.6 34.3 1.0 CD A:PRO1158 3.6 32.5 1.0 NH2 A:ARG1165 3.8 56.1 1.0 CG A:PRO1158 3.8 39.2 1.0 NE A:ARG1165 3.9 55.6 1.0 O A:GLU1154 3.9 32.7 1.0 C27 A:1UI1901 4.1 26.8 0.9 C A:HIS1157 4.1 32.1 1.0 O A:ARG1163 4.2 23.4 1.0 C A:LYS1156 4.3 31.3 1.0 CD A:ARG1165 4.3 42.9 1.0 N A:ARG1165 4.5 27.0 1.0 O A:HIS1157 4.5 34.8 1.0 C A:THR1164 4.6 27.4 1.0 C A:GLU1154 4.7 35.9 1.0 CA A:THR1164 4.7 28.7 1.0 CB A:ARG1165 4.7 25.1 1.0 C4 A:1UI1901 4.9 31.3 0.9 C A:ARG1163 4.9 28.2 1.0 C11 A:1UI1901 4.9 25.5 0.9 CA A:GLY1045 4.9 33.1 1.0 CA A:ARG1165 4.9 26.6 1.0 CB A:GLU1154 4.9 35.4 1.0 C A:PRO1158 5.0 30.3 1.0 CA A:HIS1157 5.0 36.4 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:29.0 occ:0.92 F B:1UI1901 0.0 29.0 0.9 C8 B:1UI1901 1.4 32.1 0.9 C9 B:1UI1901 2.3 21.3 0.9 C7 B:1UI1901 2.3 24.4 0.9 O B:LYS1156 3.2 34.4 1.0 CB B:PRO1158 3.2 28.8 1.0 CA B:PRO1158 3.4 31.1 1.0 CG B:ARG1165 3.5 31.2 1.0 N B:PRO1158 3.5 33.2 1.0 O B:GLU1154 3.6 33.1 1.0 C10 B:1UI1901 3.6 31.5 0.9 NE B:ARG1165 3.6 40.7 1.0 C6 B:1UI1901 3.6 29.4 0.9 CD B:PRO1158 3.7 36.0 1.0 CZ B:ARG1165 3.8 52.8 1.0 CG B:PRO1158 3.9 33.4 1.0 NH2 B:ARG1165 4.0 39.7 1.0 C27 B:1UI1901 4.1 28.0 0.9 C B:HIS1157 4.1 33.1 1.0 CD B:ARG1165 4.1 26.6 1.0 C B:LYS1156 4.2 35.8 1.0 O B:ARG1163 4.3 25.1 1.0 NH1 B:ARG1165 4.4 53.7 1.0 O B:HIS1157 4.5 31.6 1.0 C B:GLU1154 4.5 38.8 1.0 N B:ARG1165 4.5 23.5 1.0 C B:THR1164 4.7 28.5 1.0 CB B:ARG1165 4.7 30.8 1.0 C4 B:1UI1901 4.8 35.3 0.9 C11 B:1UI1901 4.8 25.5 0.9 CB B:GLU1154 4.9 35.0 1.0 CA B:THR1164 4.9 27.0 1.0 C B:PRO1158 4.9 35.3 1.0 N B:LYS1156 4.9 38.7 1.0 N B:HIS1157 4.9 38.6 1.0 CA B:ARG1165 4.9 23.4 1.0 CA B:HIS1157 4.9 45.1 1.0 C B:ARG1163 4.9 24.3 1.0 CA B:GLY1045 5.0 32.5 1.0

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