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Chlorine 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:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Plasmodium Falciparum Prolyl-Trna Synthetase (Pfprs) in Complex with L-Proline and Compound L97, PDB code: 7f97:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 7f97

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Chlorine binding site 1 out of 11 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 Chlorine with other atoms in the Cl 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:Cl804

b:101.2
occ:1.00
 NE A:ARG578 4.3 76.5 1.0
CG2 A:VAL574 4.3 64.2 1.0
CD A:ARG578 4.4 77.2 1.0
OD1 A:ASP576 4.4 76.5 1.0
OD2 A:ASP577 4.5 106.8 1.0
CG A:ARG578 4.5 73.9 1.0
CA A:ASP576 4.6 69.0 1.0
O A:TYR575 4.6 66.5 1.0
CZ2 A:TRP590 4.7 62.2 1.0
CG A:ASP576 4.7 75.5 1.0
CZ A:ARG578 5.0 78.5 1.0

Chlorine binding site 2 out of 11 in 7f97

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Chlorine binding site 2 out of 11 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 Chlorine with other atoms in the Cl 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
A:Cl805

b:98.2
occ:1.00
 CB A:PRO717 4.1 54.6 1.0
CD1 A:ILE444 4.3 69.2 1.0
O A:ASP719 4.4 82.8 1.0
CG A:PRO717 4.4 55.2 1.0
CG2 A:ILE444 4.5 48.9 1.0
CB A:ASP719 4.9 89.9 1.0

Chlorine binding site 3 out of 11 in 7f97

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Chlorine binding site 3 out of 11 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 Chlorine with other atoms in the Cl 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
A:Cl806

b:108.2
occ:1.00
 OD1 A:ASP377 3.9 88.2 1.0
OD2 A:ASP377 3.9 79.8 1.0
O A:TRP371 4.0 66.5 1.0
CG A:ASP377 4.1 82.1 1.0
CG A:ARG373 4.2 86.2 1.0
C A:TRP371 4.5 66.3 1.0
O A:LYS370 4.5 71.4 1.0
CB A:ARG373 4.6 75.0 1.0
CA A:TRP371 4.8 59.1 1.0
N A:ARG373 4.9 55.9 1.0

Chlorine binding site 4 out of 11 in 7f97

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Chlorine binding site 4 out of 11 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 Chlorine with other atoms in the Cl 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
B:Cl803

b:76.4
occ:0.63
 CL B:CL803 0.0 76.4 0.6
CL B:CL803 2.6 57.7 0.4
OD1 B:ASP576 4.3 55.6 1.0
CD B:ARG578 4.4 59.2 1.0
CG B:ARG578 4.5 58.1 1.0
CG2 B:VAL574 4.5 63.0 1.0
O B:TYR575 4.5 64.9 1.0
NE B:ARG578 4.5 58.8 1.0
CA B:ASP576 4.6 53.3 1.0
CG B:ASP576 4.7 59.1 1.0
CZ2 B:TRP590 4.9 62.0 1.0
CB B:ASP576 5.0 49.6 1.0

Chlorine binding site 5 out of 11 in 7f97

Go back to Chlorine Binding Sites List in 7f97
Chlorine binding site 5 out of 11 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 Chlorine with other atoms in the Cl binding site number 5 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:Cl803

b:57.7
occ:0.37
 CL B:CL803 0.0 57.7 0.4
CL B:CL803 2.6 76.4 0.6
NE B:ARG578 3.9 58.8 1.0
CZ B:ARG578 4.0 57.4 1.0
CD B:ARG578 4.0 59.2 1.0
NH1 B:ARG578 4.0 58.7 1.0
CZ2 B:TRP590 4.4 62.0 1.0
NH2 B:ARG578 4.6 56.9 1.0
CH2 B:TRP590 4.7 57.5 1.0
CG B:ARG578 4.8 58.1 1.0

Chlorine binding site 6 out of 11 in 7f97

Go back to Chlorine Binding Sites List in 7f97
Chlorine binding site 6 out of 11 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 Chlorine with other atoms in the Cl binding site number 6 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:Cl804

b:96.5
occ:1.00
 O B:GLU296 4.7 55.3 1.0
CB B:ALA300 4.8 38.3 1.0
NZ A:LYS307 4.9 62.4 1.0
C B:GLU296 4.9 48.4 1.0
CB B:GLU296 4.9 52.7 1.0
CE1 B:TYR293 5.0 54.0 1.0
CA B:CYS297 5.0 48.6 1.0

Chlorine binding site 7 out of 11 in 7f97

Go back to Chlorine Binding Sites List in 7f97
Chlorine binding site 7 out of 11 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 Chlorine with other atoms in the Cl binding site number 7 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:Cl805

b:102.8
occ:1.00
 O B:PRO379 4.1 66.0 1.0
O B:ASP377 4.2 59.2 1.0
C B:ASP377 4.3 61.1 1.0
O B:ARG376 4.4 71.9 1.0
O B:LEU378 4.5 61.0 1.0
C B:LEU378 4.6 67.1 1.0
N B:LEU378 4.6 61.6 1.0
CA B:ASP377 4.8 62.6 1.0
N B:PRO379 4.9 63.2 1.0

Chlorine binding site 8 out of 11 in 7f97

Go back to Chlorine Binding Sites List in 7f97
Chlorine binding site 8 out of 11 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 Chlorine with other atoms in the Cl binding site number 8 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:Cl804

b:94.4
occ:1.00
 SG C:CYS297 4.4 54.7 1.0
N C:CYS297 4.4 49.9 1.0
CA C:CYS297 4.5 54.4 1.0
CB C:GLU296 4.5 47.4 1.0
C C:GLU296 4.5 57.2 1.0
OH C:TYR293 4.6 70.4 1.0
O C:GLU296 4.6 54.5 1.0
CE1 C:TYR293 4.6 55.8 1.0
CZ C:TYR293 4.7 59.3 1.0
NZ D:LYS307 4.9 72.8 1.0

Chlorine binding site 9 out of 11 in 7f97

Go back to Chlorine Binding Sites List in 7f97
Chlorine binding site 9 out of 11 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 Chlorine with other atoms in the Cl binding site number 9 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:Cl805

b:104.1
occ:1.00
 CG2 C:VAL574 4.1 65.8 1.0
OD1 C:ASP576 4.4 72.2 1.0
NE C:ARG578 4.6 81.8 1.0
CD C:ARG578 4.6 76.2 1.0
CZ2 C:TRP590 4.7 69.4 1.0
CG C:ARG578 4.8 72.2 1.0
O C:TYR575 4.8 73.9 1.0
CA C:ASP576 4.8 67.0 1.0
CG C:ASP576 4.8 72.8 1.0

Chlorine binding site 10 out of 11 in 7f97

Go back to Chlorine Binding Sites List in 7f97
Chlorine binding site 10 out of 11 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 Chlorine with other atoms in the Cl binding site number 10 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:Cl803

b:97.1
occ:1.00
 O D:GLU296 4.8 51.4 1.0
CB D:ALA300 4.9 41.6 1.0
CB D:GLU296 4.9 49.2 1.0
OH D:TYR293 4.9 63.0 1.0
C D:GLU296 4.9 53.7 1.0
CA D:CYS297 5.0 51.1 1.0
N D:CYS297 5.0 50.3 1.0
CE1 D:TYR293 5.0 49.9 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: Mon Jul 29 20:41:52 2024

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