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Chlorine in PDB 7f9c: 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: 7f9c was solved by 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) 62.29 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 70.59, 91.66, 83.38, 90, 110.28, 90
R / Rfree (%) 18.8 / 25.3

Other elements in 7f9c:

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) 7 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 7f9c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with L-Proline and Compound L96, PDB code: 7f9c:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7f9c

Go back to Chlorine Binding Sites List in 7f9c
Chlorine binding site 1 out of 4 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:Cl1904

b:55.9
occ:0.82
 O A:HOH2051 3.2 46.9 1.0
CG A:LYS1484 3.7 58.0 1.0
CB A:PHE1483 3.7 46.4 1.0
CB A:LYS1207 3.9 44.0 1.0
CD A:LYS1207 4.2 55.6 1.0
CB A:LYS1484 4.2 48.2 1.0
CG A:LYS1207 4.2 43.6 1.0
CD2 A:PHE1483 4.3 52.2 1.0
N A:LYS1484 4.3 47.7 1.0
CG A:PHE1483 4.4 54.5 1.0
CD A:LYS1484 4.5 61.9 1.0
CA A:PHE1483 4.6 47.0 1.0
C A:PHE1483 4.7 47.8 1.0
O A:LYS1207 4.7 52.2 1.0
CE A:LYS1207 4.8 63.5 1.0
N A:LYS1207 4.9 44.2 1.0
N A:PHE1483 4.9 46.6 1.0
CA A:LYS1207 4.9 49.9 1.0
CA A:LYS1484 4.9 60.4 1.0

Chlorine binding site 2 out of 4 in 7f9c

Go back to Chlorine Binding Sites List in 7f9c
Chlorine binding site 2 out of 4 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:Cl1905

b:67.9
occ:0.97
 O A:HOH2013 3.3 52.8 1.0
NE1 B:TRP1153 3.6 47.2 1.0
N A:ALA1113 3.7 56.5 1.0
CD2 A:LEU1112 3.7 53.9 1.0
CB A:LEU1112 4.0 45.8 1.0
CE1 B:PHE1155 4.0 51.5 1.0
CZ2 B:TRP1153 4.2 46.8 1.0
NH1 B:ARG1165 4.2 78.6 1.0
CA A:LEU1112 4.3 43.8 1.0
CE2 B:TRP1153 4.3 45.2 1.0
CB A:ALA1113 4.3 63.6 1.0
CG A:LEU1112 4.4 51.7 1.0
C A:LEU1112 4.5 44.3 1.0
CD1 B:PHE1155 4.6 49.3 1.0
CA A:ALA1113 4.6 66.0 1.0
CD1 B:TRP1153 4.8 50.6 1.0
CD1 A:LEU1112 4.8 42.1 1.0

Chlorine binding site 3 out of 4 in 7f9c

Go back to Chlorine Binding Sites List in 7f9c
Chlorine binding site 3 out of 4 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
B:Cl1905

b:96.7
occ:1.00
 NH2 B:ARG1342 2.8 78.7 1.0
N B:LEU1345 3.4 66.5 1.0
CG B:ARG1346 3.5 55.2 1.0
O B:ALA1343 3.6 65.9 1.0
N B:ARG1346 3.7 63.3 1.0
CZ B:ARG1342 3.9 72.4 1.0
OD1 B:ASP1344 4.0 62.7 1.0
NE B:ARG1342 4.1 55.5 1.0
CA B:ASP1344 4.1 58.9 1.0
C B:LEU1345 4.2 60.9 1.0
C B:ASP1344 4.2 61.0 1.0
CA B:LEU1345 4.2 59.8 1.0
CD B:ARG1346 4.3 61.5 1.0
CA B:ARG1346 4.4 62.3 1.0
CB B:ARG1346 4.4 56.0 1.0
CB B:LEU1345 4.6 57.4 1.0
C B:ALA1343 4.6 62.1 1.0
NE B:ARG1346 4.7 67.6 1.0
CG B:ASP1344 4.8 60.2 1.0
N B:ASP1344 4.9 57.3 1.0

Chlorine binding site 4 out of 4 in 7f9c

Go back to Chlorine Binding Sites List in 7f9c
Chlorine binding site 4 out of 4 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
B:Cl1907

b:54.6
occ:0.63
 NE2 B:GLN1159 3.3 68.5 1.0
CD2 B:LEU1024 3.3 51.0 1.0
CG B:LEU1024 3.7 58.4 1.0
N B:ALA1025 3.7 57.3 1.0
CA B:ALA1025 3.7 55.5 1.0
CE B:MET1285 3.8 60.0 1.0
CB B:ALA1025 4.0 45.2 1.0
CB B:LEU1024 4.1 46.2 1.0
C B:LEU1024 4.1 55.6 1.0
OH B:TYR1512 4.2 73.9 1.0
CD B:GLN1159 4.4 71.8 1.0
O B:LEU1024 4.5 59.0 1.0
CA B:LEU1024 4.8 53.5 1.0
OE1 B:GLN1159 4.8 82.4 1.0
CE2 B:TYR1512 4.8 79.2 1.0
NH1 B:ARG1234 5.0 78.2 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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