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Chlorine in PDB 7f99: Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L96

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 7f99:

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
Fluorine (F) 2 atoms
Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L96, PDB code: 7f99:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7f99

Go back to Chlorine Binding Sites List in 7f99
Chlorine binding site 1 out of 3 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 Chlorine with other atoms in the Cl 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:Cl1906

b:38.2
occ:0.68
 O A:HOH2156 2.8 41.1 1.0
O A:HOH2123 3.2 33.8 1.0
CG A:LYS1484 3.8 54.2 1.0
CB A:PHE1483 3.9 31.5 1.0
CB A:LYS1207 4.1 32.8 1.0
CB A:LYS1484 4.2 38.4 1.0
CG A:LYS1207 4.3 38.4 1.0
CD A:LYS1207 4.4 48.6 1.0
N A:LYS1484 4.4 32.5 1.0
O A:HOH2187 4.5 44.1 1.0
CD2 A:PHE1483 4.6 32.7 1.0
CG A:PHE1483 4.7 35.3 1.0
CE A:LYS1484 4.8 77.5 1.0
CD A:LYS1484 4.8 68.0 1.0
CE A:LYS1207 4.8 60.0 1.0
N A:LYS1207 4.8 30.4 1.0
O A:LYS1207 4.8 37.2 1.0
C A:PHE1483 4.9 37.9 1.0
CA A:PHE1483 4.9 35.1 1.0
CA A:LYS1484 5.0 36.2 1.0
CA A:LYS1207 5.0 33.9 1.0

Chlorine binding site 2 out of 3 in 7f99

Go back to Chlorine Binding Sites List in 7f99
Chlorine binding site 2 out of 3 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 Chlorine with other atoms in the Cl 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
A:Cl1907

b:56.0
occ:0.76
 O A:HOH2057 3.3 34.4 1.0
NE1 B:TRP1153 3.7 35.7 1.0
N A:ALA1113 3.8 37.2 1.0
CD2 A:LEU1112 3.8 33.3 1.0
CE2 B:PHE1155 3.9 34.2 1.0
CB A:LEU1112 3.9 26.1 1.0
CZ2 B:TRP1153 4.1 36.1 1.0
CA A:LEU1112 4.1 26.3 1.0
CE2 B:TRP1153 4.2 34.8 1.0
CG A:LEU1112 4.4 35.6 1.0
CB A:ALA1113 4.5 37.2 1.0
CD2 B:PHE1155 4.5 38.5 1.0
C A:LEU1112 4.5 32.3 1.0
CA A:ALA1113 4.8 42.7 1.0
CD1 B:TRP1153 4.8 37.3 1.0
CD1 A:LEU1112 4.8 28.6 1.0
CZ B:PHE1155 4.9 34.3 1.0

Chlorine binding site 3 out of 3 in 7f99

Go back to Chlorine Binding Sites List in 7f99
Chlorine binding site 3 out of 3 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl1908

b:85.9
occ:1.00
 O A:HOH2120 2.8 50.2 1.0
NZ A:LYS1215 4.2 55.9 1.0
OD1 A:ASP1220 4.7 35.6 1.0
O A:GLY1219 4.8 33.5 1.0

Reference:

N.Malhotra, Y.Manickam, A.Sharma. Hsprs with Atp Binding Pocket Inhibitor To Be Published.
Page generated: Mon Jul 29 20:41:52 2024

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