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Chlorine in PDB 7f9d: 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: 7f9d 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) 44.13 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.49, 106.13, 145.55, 90, 90, 90
R / Rfree (%) 18.7 / 26.3

Other elements in 7f9d:

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 7f9d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L96, PDB code: 7f9d:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7f9d

Go back to Chlorine Binding Sites List in 7f9d
Chlorine binding site 1 out of 6 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:83.9
occ:1.00
 O A:HOH2040 3.2 56.9 1.0
O A:HOH2036 3.5 38.5 1.0
CG A:LYS1484 3.6 50.6 1.0
CB A:LYS1207 3.9 37.9 1.0
CB A:PHE1483 4.0 43.3 1.0
CD A:LYS1207 4.0 44.5 1.0
CB A:LYS1484 4.3 46.1 1.0
CG A:LYS1207 4.3 41.1 1.0
N A:LYS1484 4.4 40.0 1.0
CD2 A:PHE1483 4.4 44.7 1.0
O A:LYS1207 4.6 53.6 1.0
CG A:PHE1483 4.7 51.7 1.0
CE A:LYS1207 4.8 63.0 1.0
CD A:LYS1484 4.8 55.4 1.0
N A:LYS1207 4.8 42.3 1.0
CA A:LYS1207 4.9 35.5 1.0
CA A:PHE1483 4.9 47.7 1.0
NZ A:LYS1207 4.9 73.0 1.0
C A:PHE1483 4.9 43.8 1.0

Chlorine binding site 2 out of 6 in 7f9d

Go back to Chlorine Binding Sites List in 7f9d
Chlorine binding site 2 out of 6 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:68.1
occ:0.88
 CB A:GLN1409 3.7 39.7 1.0
CG A:GLN1409 3.8 37.8 1.0
CG A:GLU1406 3.9 55.6 1.0
CG A:ARG1298 4.0 61.7 1.0
CA A:GLU1406 4.0 44.3 1.0
CD A:ARG1298 4.3 66.2 1.0
O A:HOH2025 4.4 43.5 1.0
CB A:GLU1406 4.5 53.5 1.0
O A:GLU1406 4.5 71.5 1.0
CD A:GLN1409 4.6 44.8 1.0
C A:GLU1406 4.8 55.7 1.0
O A:LEU1405 4.8 41.0 1.0
N A:GLU1406 4.8 39.9 1.0
OE1 A:GLN1409 4.9 46.5 1.0

Chlorine binding site 3 out of 6 in 7f9d

Go back to Chlorine Binding Sites List in 7f9d
Chlorine binding site 3 out of 6 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:34.4
occ:0.65
 N A:GLU1017 2.7 66.3 1.0
N A:ALA1018 3.2 43.6 1.0
CA A:LEU1016 3.5 62.0 1.0
C A:LEU1016 3.5 68.6 1.0
NE2 A:GLN1030 3.6 51.2 1.0
CA A:GLU1017 3.6 68.5 1.0
CD1 A:LEU1016 3.7 59.2 1.0
C A:GLU1017 3.9 55.1 1.0
CG A:LEU1016 3.9 55.0 1.0
CB A:GLU1017 3.9 71.5 1.0
CE A:LYS1034 4.0 62.3 1.0
CB A:ALA1018 4.1 40.6 1.0
CB A:GLN1030 4.1 43.8 1.0
O A:GLY1015 4.1 95.1 1.0
CD A:LYS1034 4.2 51.6 1.0
CG A:GLN1030 4.2 48.9 1.0
CB A:LEU1016 4.2 57.7 1.0
CA A:ALA1018 4.3 45.9 1.0
NZ A:LYS1034 4.3 69.1 1.0
CD A:GLN1030 4.4 52.2 1.0
N A:LEU1016 4.7 76.3 1.0
O A:LEU1016 4.7 72.2 1.0
OE1 A:GLU1017 4.8 82.9 1.0
C A:GLY1015 4.9 84.9 1.0
CG A:GLU1017 5.0 70.3 1.0

Chlorine binding site 4 out of 6 in 7f9d

Go back to Chlorine Binding Sites List in 7f9d
Chlorine binding site 4 out of 6 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 4 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:Cl1910

b:90.5
occ:1.00
 OD2 A:ASP1419 4.3 87.7 1.0

Chlorine binding site 5 out of 6 in 7f9d

Go back to Chlorine Binding Sites List in 7f9d
Chlorine binding site 5 out of 6 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 5 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:Cl1601

b:70.7
occ:0.96
 NE1 B:TRP1153 3.5 36.1 1.0
CE2 B:PHE1155 3.5 49.0 1.0
N A:ALA1113 3.5 77.8 1.0
CD2 A:LEU1112 3.8 45.1 1.0
CD2 B:PHE1155 4.0 41.0 1.0
CB A:LEU1112 4.0 49.1 1.0
CA A:LEU1112 4.1 69.5 1.0
CB A:ALA1113 4.1 76.5 1.0
CE2 B:TRP1153 4.3 38.2 1.0
C A:LEU1112 4.3 77.3 1.0
NH1 B:ARG1165 4.4 88.6 1.0
CG A:LEU1112 4.4 52.2 1.0
CD1 B:TRP1153 4.5 41.2 1.0
CA A:ALA1113 4.5 80.1 1.0
CZ2 B:TRP1153 4.5 45.4 1.0
CZ B:PHE1155 4.7 44.6 1.0
CD1 A:LEU1112 4.9 57.6 1.0

Chlorine binding site 6 out of 6 in 7f9d

Go back to Chlorine Binding Sites List in 7f9d
Chlorine binding site 6 out of 6 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 6 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:Cl1605

b:100.7
occ:0.89
 CD2 B:LEU1112 3.4 53.5 1.0
CE2 A:PHE1155 3.6 73.3 1.0
NE1 A:TRP1153 3.7 66.7 1.0
N B:ALA1113 4.0 65.9 1.0
CB B:LEU1112 4.0 43.7 1.0
CG B:LEU1112 4.0 44.0 1.0
CD1 B:LEU1112 4.1 30.3 1.0
CZ2 A:TRP1153 4.2 66.5 1.0
CZ A:PHE1155 4.2 69.3 1.0
CA B:LEU1112 4.3 60.7 1.0
CE2 A:TRP1153 4.4 61.9 1.0
CD2 A:PHE1155 4.6 72.2 1.0
NH2 A:ARG1165 4.7 77.6 1.0
C B:LEU1112 4.7 63.4 1.0
CB B:ALA1113 4.7 63.8 1.0
CD1 A:TRP1153 4.9 70.1 1.0
CA B:ALA1113 5.0 71.2 1.0

Reference:

N.Malhotra, Y.Manickam, A.Sharma. Hsprs with Atp Binding Pocket Inhibitor To Be Published.
Page generated: Mon Jul 29 20:42:30 2024

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