Calcium 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
Chlorine (Cl) 4 atoms
Bromine (Br) 4 atoms

Calcium Binding Sites:

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

Calcium binding site 1 out of 3 in 7x09

Go back to Calcium Binding Sites List in 7x09
Calcium binding site 1 out of 3 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 Calcium with other atoms in the Ca 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:Ca1906

b:60.4
occ:0.89
 OE2 A:GLU1264 2.4 67.5 1.0
O A:HOH2236 2.5 65.1 1.0
O B:HOH2047 2.6 48.9 0.5
OE1 A:GLU1264 3.0 61.7 1.0
CD A:GLU1264 3.0 58.5 1.0
O A:HOH2163 3.9 57.3 1.0
CG A:GLU1264 4.5 55.4 1.0

Calcium binding site 2 out of 3 in 7x09

Go back to Calcium Binding Sites List in 7x09
Calcium binding site 2 out of 3 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 Calcium with other atoms in the Ca 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:Ca1906

b:28.7
occ:0.62
 O B:HOH2312 2.3 57.8 1.0
O B:HOH2275 2.3 39.1 1.0
O B:HOH2184 2.4 36.5 1.0
O B:HOH2078 2.4 45.0 1.0
O B:HOH2272 2.6 42.5 1.0
O B:HOH2170 2.6 49.8 1.0
NE2 B:HIS1423 2.6 43.6 1.0
CD2 B:HIS1423 3.6 36.5 1.0
CE1 B:HIS1423 3.6 38.1 1.0
O B:HOH2283 4.3 57.1 1.0
O B:SER1230 4.6 37.2 1.0
O B:GLY1440 4.6 34.0 1.0
O B:SER1439 4.7 53.7 1.0
CG B:HIS1423 4.7 42.5 1.0
ND1 B:HIS1423 4.8 42.1 1.0

Calcium binding site 3 out of 3 in 7x09

Go back to Calcium Binding Sites List in 7x09
Calcium binding site 3 out of 3 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 Calcium with other atoms in the Ca 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:Ca1909

b:52.7
occ:0.65
 O B:HOH2237 2.4 60.0 1.0
O B:HOH2254 2.4 58.4 1.0
O B:HOH2314 2.4 68.3 1.0
OE1 B:GLU1264 2.5 63.6 1.0
O B:HOH2167 2.6 72.0 1.0
OE2 B:GLU1264 2.6 61.8 1.0
O B:HOH2294 2.7 65.1 1.0
CD B:GLU1264 2.9 62.7 1.0
O B:HOH2015 4.0 64.0 1.0
O B:HOH2036 4.0 68.0 1.0
CG B:GLU1264 4.5 47.4 1.0
O B:GLY1263 4.8 54.7 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: Fri Jul 19 05:54:27 2024

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