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Fluorine in PDB 7f97: Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) in Complex with L-Proline and Compound L97

Enzymatic activity of Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) in Complex with L-Proline and Compound L97

All present enzymatic activity of Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) in Complex with L-Proline and Compound L97:
6.1.1.15;

Protein crystallography data

The structure of Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) in Complex with L-Proline and Compound L97, PDB code: 7f97 was solved by S.Mishra, 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) 41.90 / 2.39
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.02, 140.6, 187.09, 90, 90, 90
R / Rfree (%) 17.5 / 23.2

Other elements in 7f97:

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

Chlorine (Cl) 11 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) in Complex with L-Proline and Compound L97 (pdb code 7f97). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) in Complex with L-Proline and Compound L97, PDB code: 7f97:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7f97

Go back to Fluorine Binding Sites List in 7f97
Fluorine binding site 1 out of 4 in the Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) 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 Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) in Complex with L-Proline and Compound L97 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F802

b:67.8
occ:1.00
 F A:1XK802 0.0 67.8 1.0
C10 A:1XK802 1.4 62.8 1.0
C11 A:1XK802 2.4 58.3 1.0
C9 A:1XK802 2.4 57.9 1.0
O A:LYS394 3.1 74.1 1.0
CB A:PRO396 3.1 53.9 1.0
CA A:PRO396 3.2 57.9 1.0
N A:PRO396 3.3 58.4 1.0
CZ A:ARG403 3.6 75.5 1.0
C8 A:1XK802 3.6 53.3 1.0
C12 A:1XK802 3.7 61.0 1.0
C A:GLN395 3.7 61.9 1.0
CG A:ARG403 3.7 61.9 1.0
CD A:PRO396 3.8 55.9 1.0
CG A:PRO396 3.8 55.6 1.0
NH2 A:ARG403 3.8 75.8 1.0
NE A:ARG403 3.9 70.6 1.0
NH1 A:ARG403 3.9 76.1 1.0
O A:ARG401 4.1 55.5 1.0
O A:GLN395 4.1 58.6 1.0
O A:GLU392 4.1 73.2 1.0
C A:LYS394 4.1 71.2 1.0
C13 A:1XK802 4.2 49.7 1.0
CA A:GLN395 4.4 72.5 1.0
CD A:ARG403 4.4 66.2 1.0
N A:ARG403 4.6 56.1 1.0
C A:PRO396 4.7 64.0 1.0
C A:ARG401 4.7 50.8 1.0
N A:GLN395 4.7 70.4 1.0
CB A:GLU392 4.8 30.0 1.0
C A:THR402 4.8 49.2 1.0
CA A:THR402 4.9 54.2 1.0
C7 A:1XK802 4.9 55.9 1.0
C14 A:1XK802 4.9 71.5 1.0
C A:GLU392 4.9 71.0 1.0
CA A:GLY283 5.0 64.1 1.0

Fluorine binding site 2 out of 4 in 7f97

Go back to Fluorine Binding Sites List in 7f97
Fluorine binding site 2 out of 4 in the Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) 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 Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) in Complex with L-Proline and Compound L97 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F802

b:69.8
occ:0.95
 F B:1XK802 0.0 69.8 0.9
C10 B:1XK802 1.4 60.2 0.9
C9 B:1XK802 2.4 54.2 0.9
C11 B:1XK802 2.4 49.0 0.9
CB B:PRO396 3.2 53.9 1.0
CA B:PRO396 3.5 55.1 1.0
O B:LYS394 3.6 72.7 1.0
C8 B:1XK802 3.7 50.9 0.9
N B:PRO396 3.7 58.3 1.0
CG B:ARG403 3.7 62.6 1.0
C12 B:1XK802 3.7 55.3 0.9
CZ B:ARG403 3.9 88.1 1.0
O B:GLU392 3.9 64.3 1.0
NE B:ARG403 4.0 81.7 1.0
NH1 B:ARG403 4.0 89.8 1.0
CG B:PRO396 4.0 56.3 1.0
CD B:PRO396 4.0 58.6 1.0
O B:ARG401 4.0 58.5 1.0
C B:GLN395 4.1 63.3 1.0
C13 B:1XK802 4.2 48.1 0.9
CD B:ARG403 4.3 68.7 1.0
NH2 B:ARG403 4.3 92.4 1.0
O B:GLN395 4.4 61.0 1.0
N B:ARG403 4.4 53.8 1.0
C B:LYS394 4.5 72.3 1.0
C B:THR402 4.5 53.7 1.0
CA B:THR402 4.6 55.3 1.0
C B:ARG401 4.7 56.9 1.0
CA B:GLY283 4.7 70.3 1.0
CB B:ARG403 4.8 53.3 1.0
N B:THR402 4.8 58.4 1.0
C B:GLU392 4.9 69.6 1.0
CA B:ARG403 4.9 54.7 1.0
C7 B:1XK802 4.9 54.9 0.9
CA B:GLN395 4.9 68.3 1.0
C14 B:1XK802 5.0 63.8 0.9
C B:PRO396 5.0 59.1 1.0

Fluorine binding site 3 out of 4 in 7f97

Go back to Fluorine Binding Sites List in 7f97
Fluorine binding site 3 out of 4 in the Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) 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 3 of Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) in Complex with L-Proline and Compound L97 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F802

b:71.7
occ:0.97
 F C:1XK802 0.0 71.7 1.0
C10 C:1XK802 1.4 67.0 1.0
C9 C:1XK802 2.4 67.7 1.0
C11 C:1XK802 2.4 65.8 1.0
CB C:PRO396 3.0 80.7 1.0
CA C:PRO396 3.3 82.3 1.0
N C:PRO396 3.4 84.4 1.0
O C:LYS394 3.4 87.0 1.0
CD C:PRO396 3.6 85.3 1.0
C8 C:1XK802 3.6 67.4 1.0
CG C:PRO396 3.7 84.5 1.0
C12 C:1XK802 3.7 70.6 1.0
CG C:ARG403 3.7 73.1 1.0
CZ C:ARG403 3.8 88.9 1.0
C C:GLN395 3.9 81.8 1.0
O C:GLU392 4.0 87.1 1.0
NE C:ARG403 4.0 85.5 1.0
NH1 C:ARG403 4.0 90.8 1.0
O C:ARG401 4.0 64.5 1.0
NH2 C:ARG403 4.1 90.2 1.0
C13 C:1XK802 4.2 66.2 1.0
C C:LYS394 4.3 87.5 1.0
O C:GLN395 4.4 75.1 1.0
CD C:ARG403 4.5 80.0 1.0
N C:ARG403 4.5 62.4 1.0
C C:ARG401 4.7 66.0 1.0
CA C:GLN395 4.7 88.7 1.0
C C:THR402 4.7 64.9 1.0
CA C:THR402 4.7 69.9 1.0
C C:PRO396 4.8 77.2 1.0
C C:GLU392 4.8 84.5 1.0
C7 C:1XK802 4.9 65.8 1.0
N C:GLN395 4.9 89.0 1.0
CA C:GLY283 4.9 77.5 1.0
N C:THR402 5.0 69.1 1.0
CB C:ARG403 5.0 68.4 1.0
C14 C:1XK802 5.0 76.5 1.0
CB C:GLU392 5.0 79.0 1.0

Fluorine binding site 4 out of 4 in 7f97

Go back to Fluorine Binding Sites List in 7f97
Fluorine binding site 4 out of 4 in the Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) 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 4 of Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) in Complex with L-Proline and Compound L97 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F802

b:69.5
occ:1.00
 F D:1XK802 0.0 69.5 1.0
C10 D:1XK802 1.4 65.7 1.0
C9 D:1XK802 2.4 63.8 1.0
C11 D:1XK802 2.4 62.0 1.0
O D:LYS394 3.1 77.0 1.0
CB D:PRO396 3.2 71.4 1.0
CA D:PRO396 3.3 73.4 1.0
N D:PRO396 3.4 76.8 1.0
C12 D:1XK802 3.7 68.4 1.0
C8 D:1XK802 3.7 61.2 1.0
CD D:PRO396 3.7 82.3 1.0
C D:GLN395 3.8 77.7 1.0
CG D:PRO396 3.8 76.5 1.0
CG D:ARG403 3.9 68.7 1.0
O D:GLU392 4.0 82.0 1.0
O D:ARG401 4.0 63.5 1.0
O D:GLN395 4.1 75.2 1.0
NH1 D:ARG403 4.1 98.7 1.0
C D:LYS394 4.1 81.8 1.0
C13 D:1XK802 4.1 58.8 1.0
CZ D:ARG403 4.2 97.8 1.0
NE D:ARG403 4.4 89.0 1.0
N D:ARG403 4.5 65.2 1.0
NH2 D:ARG403 4.5 104.7 1.0
CA D:THR402 4.6 63.7 1.0
C D:ARG401 4.7 64.7 1.0
C D:THR402 4.7 64.1 1.0
C D:PRO396 4.7 71.4 1.0
CA D:GLN395 4.8 80.8 1.0
CD D:ARG403 4.8 76.1 1.0
N D:GLN395 4.8 81.7 1.0
C D:GLU392 4.8 84.2 1.0
CA D:GLY283 4.8 77.7 1.0
N D:THR402 4.9 61.6 1.0
N D:LYS394 4.9 87.3 1.0
C7 D:1XK802 4.9 72.0 1.0
C14 D:1XK802 4.9 78.1 1.0

Reference:

S.Mishra, N.Malhotra, Y.Manickam, A.Sharma. Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) in Complex with L-Proline and Compound L97 To Be Published.
Page generated: Fri Aug 2 06:51:42 2024

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