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Chlorine in PDB 7f9a: Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97

Enzymatic activity of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97

All present enzymatic activity of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97:
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 L97, PDB code: 7f9a 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) 59.93 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.74, 105.92, 145.38, 90, 90, 90
R / Rfree (%) 19.5 / 24.2

Other elements in 7f9a:

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

Calcium (Ca) 10 atoms
Fluorine (F) 2 atoms
Zinc (Zn) 2 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 L97 (pdb code 7f9a). 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 L97, PDB code: 7f9a:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7f9a

Go back to Chlorine Binding Sites List in 7f9a
Chlorine binding site 1 out of 3 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) 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 Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1909

b:57.9
occ:0.82
 N A:GLU1017 2.9 62.4 1.0
N A:ALA1018 3.2 49.8 1.0
NE2 A:GLN1030 3.4 58.0 1.0
CE A:LYS1034 3.4 66.5 1.0
CA A:LEU1016 3.7 66.4 1.0
C A:LEU1016 3.8 65.7 1.0
CG A:GLN1030 3.8 48.8 1.0
CD1 A:LEU1016 3.8 60.2 1.0
CA A:GLU1017 3.8 67.0 1.0
CB A:GLN1030 3.9 45.7 1.0
CB A:ALA1018 3.9 46.8 1.0
C A:GLU1017 4.0 61.7 1.0
CG A:LEU1016 4.0 58.2 1.0
CD A:GLN1030 4.1 58.4 1.0
CA A:ALA1018 4.2 50.4 1.0
CB A:GLU1017 4.3 68.5 1.0
NZ A:LYS1034 4.3 72.0 1.0
CD A:LYS1034 4.3 48.2 1.0
CB A:LEU1016 4.4 56.2 1.0
O A:GLY1015 4.4 92.5 1.0
N A:LEU1016 4.8 70.6 1.0
CG A:GLU1017 5.0 75.8 1.0
O A:LEU1016 5.0 76.4 1.0

Chlorine binding site 2 out of 3 in 7f9a

Go back to Chlorine Binding Sites List in 7f9a
Chlorine binding site 2 out of 3 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) 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 Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1910

b:97.0
occ:1.00
 NE2 A:HIS1423 3.8 73.8 1.0
CD2 A:HIS1423 4.6 72.9 1.0
O A:SER1439 4.8 84.8 1.0
CE1 A:HIS1423 4.9 74.9 1.0

Chlorine binding site 3 out of 3 in 7f9a

Go back to Chlorine Binding Sites List in 7f9a
Chlorine binding site 3 out of 3 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) 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 Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L97 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1912

b:58.5
occ:0.71
 NE1 B:TRP1153 3.4 45.8 1.0
N A:ALA1113 3.5 65.4 1.0
CE1 B:PHE1155 3.5 60.1 1.0
CD2 A:LEU1112 3.7 61.9 1.0
CB A:ALA1113 3.9 69.7 1.0
CD1 B:PHE1155 4.1 55.8 1.0
CE2 B:TRP1153 4.1 50.7 1.0
CZ2 B:TRP1153 4.2 53.7 1.0
CB A:LEU1112 4.2 50.4 1.0
CA A:LEU1112 4.2 70.8 1.0
CA A:ALA1113 4.3 75.2 1.0
C A:LEU1112 4.4 71.5 1.0
CG A:LEU1112 4.5 56.0 1.0
CD1 B:TRP1153 4.5 55.6 1.0
CZ B:PHE1155 4.6 56.7 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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