Bromine 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
Calcium (Ca) 3 atoms

Bromine Binding Sites:

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

Bromine binding site 1 out of 4 in 7x09

Go back to Bromine Binding Sites List in 7x09
Bromine 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 Bromine with other atoms in the Br 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:Br1901

b:77.6
occ:1.00
 BR1 A:HFG1901 0.0 77.6 1.0
C7 A:HFG1901 1.9 53.9 1.0
C8 A:HFG1901 2.8 32.3 1.0
C6 A:HFG1901 2.9 34.8 1.0
O A:HOH2133 3.2 53.6 1.0
CL1 A:HFG1901 3.3 38.2 1.0
N A:GLU1100 3.5 49.6 1.0
CG2 A:VAL1101 3.5 51.1 1.0
C A:GLU1100 3.8 36.6 1.0
N A:VAL1101 3.9 30.9 1.0
C A:PRO1099 3.9 53.9 1.0
CB A:PRO1120 4.0 31.4 1.0
O A:GLU1100 4.1 36.1 1.0
CG A:PRO1120 4.1 33.3 1.0
CA A:GLU1100 4.1 41.7 1.0
C9 A:HFG1901 4.1 34.1 1.0
C5 A:HFG1901 4.2 34.2 1.0
CA A:PRO1099 4.2 54.1 1.0
CB A:PRO1099 4.2 53.8 1.0
CA A:VAL1101 4.3 34.1 1.0
CB A:VAL1101 4.5 46.4 1.0
CB A:GLU1100 4.6 43.8 1.0
O A:HOH2028 4.6 39.9 1.0
O A:PRO1099 4.6 47.2 1.0
C10 A:HFG1901 4.7 35.6 1.0

Bromine binding site 2 out of 4 in 7x09

Go back to Bromine Binding Sites List in 7x09
Bromine 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 Bromine with other atoms in the Br 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
A:Br1904

b:44.6
occ:0.67
 NH1 A:ARG1152 3.2 32.9 1.0
O7' A:HFG1901 3.3 31.1 1.0
NH2 A:ARG1152 3.4 28.4 1.0
C39 A:HFG1901 3.7 26.8 1.0
C21 A:HFG1901 3.7 31.9 1.0
O4' A:HFG1901 3.7 27.9 1.0
C19 A:JE61902 3.7 32.9 1.0
CZ A:ARG1152 3.7 31.7 1.0
C1' A:HFG1901 3.7 36.1 1.0
C2 A:HFG1901 3.7 33.8 1.0
C18 A:JE61902 3.8 27.4 1.0
C15 A:JE61902 3.9 33.2 1.0
C14 A:JE61902 4.1 29.9 1.0
N3 A:HFG1901 4.2 33.1 1.0
C3' A:HFG1901 4.4 31.0 1.0
CZ3 A:TRP1169 4.4 27.4 1.0
C16 A:JE61902 4.5 29.1 1.0
O A:HOH2220 4.6 46.2 1.0
C2' A:HFG1901 4.6 26.4 1.0
N1 A:HFG1901 4.7 31.9 1.0
C4' A:HFG1901 4.7 26.2 1.0
C20 A:JE61902 4.8 28.8 1.0
O A:HOH2082 5.0 42.8 1.0

Bromine binding site 3 out of 4 in 7x09

Go back to Bromine Binding Sites List in 7x09
Bromine 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 Bromine with other atoms in the Br 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:Br1901

b:60.0
occ:1.00
 BR1 B:HFG1901 0.0 60.0 1.0
C7 B:HFG1901 1.9 37.0 1.0
C8 B:HFG1901 2.8 28.6 1.0
C6 B:HFG1901 2.9 28.2 1.0
O B:PHE1097 3.3 62.9 1.0
CL1 B:HFG1901 3.3 34.2 1.0
CG2 B:VAL1101 3.6 47.9 1.0
CB B:PHE1097 3.6 59.7 1.0
O B:GLU1100 3.7 34.3 1.0
C B:GLU1100 3.7 30.8 1.0
CB B:PRO1120 3.9 24.0 1.0
CB B:GLU1100 3.9 42.6 1.0
N B:VAL1101 4.0 35.2 1.0
C B:PHE1097 4.0 63.9 1.0
C9 B:HFG1901 4.1 30.2 1.0
C5 B:HFG1901 4.2 25.8 1.0
CA B:PHE1097 4.2 63.7 1.0
CG B:PRO1120 4.2 24.3 1.0
O B:HOH2039 4.3 41.0 1.0
CA B:GLU1100 4.3 37.8 1.0
CA B:VAL1101 4.3 35.7 1.0
CG B:PHE1097 4.3 54.0 1.0
OE2 B:GLU1100 4.6 59.1 1.0
CB B:VAL1101 4.6 39.3 1.0
CD1 B:PHE1097 4.6 53.2 1.0
C10 B:HFG1901 4.7 26.5 1.0
CG B:ARG1152 4.7 24.9 1.0
N B:GLU1100 4.8 51.0 1.0
CB B:ARG1152 5.0 29.8 1.0

Bromine binding site 4 out of 4 in 7x09

Go back to Bromine Binding Sites List in 7x09
Bromine 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 Bromine with other atoms in the Br 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:Br1904

b:33.8
occ:0.54
 O B:HOH2285 3.0 51.0 1.0
O7' B:HFG1901 3.2 24.1 1.0
NH1 B:ARG1152 3.3 23.8 1.0
NH2 B:ARG1152 3.3 25.3 1.0
C39 B:HFG1901 3.5 28.1 1.0
O4' B:HFG1901 3.6 25.4 1.0
C21 B:HFG1901 3.6 26.7 1.0
C19 B:JE61902 3.6 28.5 1.0
CZ B:ARG1152 3.7 25.6 1.0
C2 B:HFG1901 3.7 33.0 1.0
C1' B:HFG1901 3.8 26.6 1.0
C18 B:JE61902 3.8 26.6 1.0
C15 B:JE61902 4.0 30.1 1.0
N3 B:HFG1901 4.2 28.7 1.0
CZ3 B:TRP1169 4.3 25.2 1.0
C14 B:JE61902 4.3 29.1 1.0
C3' B:HFG1901 4.3 23.9 1.0
C2' B:HFG1901 4.5 22.9 1.0
C16 B:JE61902 4.6 24.9 1.0
C4' B:HFG1901 4.6 25.4 1.0
N1 B:HFG1901 4.6 28.7 1.0
C20 B:JE61902 4.8 27.6 1.0
O B:HOH2290 4.8 22.6 0.5
CH2 B:TRP1169 4.9 23.8 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: Thu Jul 11 04:42:08 2024

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