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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy