Chlorine in PDB 7x09: Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone

Enzymatic activity of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone

All present enzymatic activity of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone:
6.1.1.15; 6.1.1.17;

Protein crystallography data

The structure of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone, PDB code: 7x09 was solved by Y.Manickam, P.Babbar, P.Pillai, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.17 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.988, 105.653, 145.493, 90, 90, 90
R / Rfree (%) 19.5 / 22.5

Other elements in 7x09:

The structure of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Calcium (Ca) 3 atoms
Bromine (Br) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone (pdb code 7x09). 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 Inhibitors L95 and Halofuginone, PDB code: 7x09:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7x09

Go back to Chlorine Binding Sites List in 7x09
Chlorine binding site 1 out of 4 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone


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 Inhibitors L95 and Halofuginone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1901

b:38.2
occ:1.00
 CL1 A:HFG1901 0.0 38.2 1.0
C6 A:HFG1901 1.7 34.8 1.0
C5 A:HFG1901 2.7 34.2 1.0
C7 A:HFG1901 2.7 53.9 1.0
BR1 A:HFG1901 3.3 77.6 1.0
CG A:PRO1120 3.6 33.3 1.0
O A:HOH2229 3.6 48.2 1.0
CG2 A:VAL1101 3.8 51.1 1.0
C10 A:HFG1901 4.0 35.6 1.0
C8 A:HFG1901 4.0 32.3 1.0
O A:HOH2222 4.2 37.6 1.0
CB A:PRO1099 4.4 53.8 1.0
CB A:PRO1120 4.5 31.4 1.0
CD1 A:LEU1087 4.5 42.3 1.0
C9 A:HFG1901 4.5 34.1 1.0
CD A:PRO1120 4.6 27.0 1.0
CD2 A:LEU1087 5.0 39.4 1.0

Chlorine binding site 2 out of 4 in 7x09

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Chlorine binding site 2 out of 4 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone


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 Inhibitors L95 and Halofuginone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1901

b:34.2
occ:1.00
 CL1 B:HFG1901 0.0 34.2 1.0
C6 B:HFG1901 1.7 28.2 1.0
C5 B:HFG1901 2.7 25.8 1.0
C7 B:HFG1901 2.7 37.0 1.0
BR1 B:HFG1901 3.3 60.0 1.0
CG B:PRO1120 3.5 24.3 1.0
CG2 B:VAL1101 3.6 47.9 1.0
CD2 B:HIS1093 3.7 47.9 1.0
CG B:HIS1093 3.8 47.7 1.0
NE2 B:HIS1093 3.8 48.9 1.0
CB B:PHE1097 3.9 59.7 1.0
ND1 B:HIS1093 4.0 44.1 1.0
CE1 B:HIS1093 4.0 44.2 1.0
C10 B:HFG1901 4.0 26.5 1.0
C8 B:HFG1901 4.0 28.6 1.0
CB B:PRO1120 4.3 24.0 1.0
CB B:HIS1093 4.4 40.0 1.0
C9 B:HFG1901 4.5 30.2 1.0
CD1 B:LEU1087 4.5 35.1 1.0
CD B:PRO1120 4.6 25.4 1.0
O B:HOH2238 4.6 33.9 1.0
CG B:PHE1097 4.7 54.0 1.0
O B:PHE1097 4.7 62.9 1.0
CD2 B:PHE1097 4.8 57.3 1.0
C B:PHE1097 4.9 63.9 1.0

Chlorine binding site 3 out of 4 in 7x09

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Chlorine binding site 3 out of 4 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone


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 Inhibitors L95 and Halofuginone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1907

b:48.0
occ:0.92
 O B:HOH2274 3.3 63.8 1.0
CA B:ASN1395 3.5 48.7 1.0
NH1 B:ARG1333 3.7 44.5 1.0
N B:ASN1395 3.9 42.0 1.0
CG B:GLU1394 3.9 49.0 1.0
NH2 B:ARG1333 3.9 45.0 1.0
CB B:ASN1395 4.0 51.2 1.0
CZ B:ARG1333 4.0 43.0 1.0
C B:GLU1394 4.2 39.2 1.0
O B:GLU1394 4.2 43.7 1.0
CD B:GLU1394 4.4 55.6 1.0
C B:ASN1395 4.6 50.5 1.0
OE2 B:GLU1394 4.6 52.9 1.0
O B:HOH2016 4.7 62.5 1.0
CB B:GLU1394 4.7 48.4 1.0
O B:ASN1395 4.8 56.3 1.0
NE B:ARG1333 5.0 42.0 1.0

Chlorine binding site 4 out of 4 in 7x09

Go back to Chlorine Binding Sites List in 7x09
Chlorine binding site 4 out of 4 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone


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 Inhibitors L95 and Halofuginone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1908

b:39.1
occ:0.68
 NH1 B:ARG1340 3.3 34.6 1.0
NE2 B:GLN1303 3.4 31.1 1.0
CD B:ARG1298 3.5 50.2 1.0
O B:HOH2291 3.7 68.3 1.0
NH2 B:ARG1340 3.7 39.4 1.0
CA B:ARG1298 3.9 30.3 1.0
CZ B:ARG1340 3.9 35.7 1.0
O B:HOH2267 4.0 69.5 1.0
O B:PRO1297 4.0 28.2 1.0
O B:ARG1298 4.1 32.4 1.0
NE B:ARG1298 4.1 53.6 1.0
C B:ARG1298 4.4 32.2 1.0
O B:HOH2034 4.4 40.8 1.0
CD B:GLN1303 4.5 35.1 1.0
CG B:ARG1298 4.6 47.0 1.0
O B:HOH2123 4.6 44.2 1.0
C B:PRO1297 4.6 27.0 1.0
N B:ARG1298 4.7 27.0 1.0
CB B:ARG1298 4.7 31.6 1.0
OE1 B:GLN1303 4.9 34.1 1.0

Reference:

Y.Manickam, P.Babbar, A.Sharma. Crystal Structure of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) with Double Inhibitors (Hf and L95) To Be Published.
Page generated: Tue Jul 30 05:43:47 2024

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