Bromine in PDB 7x1o: Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95

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

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

Protein crystallography data

The structure of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95, PDB code: 7x1o was solved by Y.Manickam, P.Babbar, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.52 / 2.04
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 72.03, 93.73, 87.09, 90, 109.62, 90
R / Rfree (%) 19.4 / 23.7

Other elements in 7x1o:

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

Chlorine (Cl) 2 atoms
Zinc (Zn) 5 atoms
Calcium (Ca) 4 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95 (pdb code 7x1o). 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 Double Inhibitors Hf and L95, PDB code: 7x1o:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 7x1o

Go back to Bromine Binding Sites List in 7x1o
Bromine binding site 1 out of 4 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95


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 Double Inhibitors Hf and L95 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1901

b:92.6
occ:1.00
 BR1 A:HFG1901 0.0 92.6 1.0
C7 A:HFG1901 1.9 83.5 1.0
C8 A:HFG1901 2.8 70.2 1.0
C6 A:HFG1901 2.9 60.2 1.0
CL1 A:HFG1901 3.3 61.5 1.0
CB A:PRO1120 3.8 46.5 1.0
C A:GLU1100 3.8 58.6 1.0
O A:GLU1100 3.8 58.7 1.0
N A:GLU1100 3.9 68.6 1.0
N A:VAL1101 3.9 49.8 1.0
CG A:PRO1120 4.0 54.8 1.0
C9 A:HFG1901 4.1 59.6 1.0
C5 A:HFG1901 4.2 46.4 1.0
C A:PRO1099 4.3 81.5 1.0
CA A:VAL1101 4.4 48.3 1.0
CA A:GLU1100 4.5 68.1 1.0
CB A:VAL1101 4.5 59.5 1.0
CA A:PRO1099 4.6 78.4 1.0
C10 A:HFG1901 4.7 55.4 1.0
CG A:ARG1152 4.8 51.3 1.0
O A:PRO1099 4.8 79.0 1.0
O A:HOH2076 5.0 65.1 1.0

Bromine binding site 2 out of 4 in 7x1o

Go back to Bromine Binding Sites List in 7x1o
Bromine binding site 2 out of 4 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95


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 Double Inhibitors Hf and L95 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1904

b:49.4
occ:0.43
 O7' A:HFG1901 3.0 47.3 1.0
NH1 A:ARG1152 3.2 42.0 1.0
NH2 A:ARG1152 3.3 44.0 1.0
O4' A:HFG1901 3.5 46.0 1.0
C2 A:HFG1901 3.6 55.0 1.0
C21 A:HFG1901 3.6 45.6 1.0
C19 A:JE61902 3.6 49.1 0.9
C39 A:HFG1901 3.6 44.6 1.0
C1' A:HFG1901 3.6 45.4 1.0
CZ A:ARG1152 3.7 51.0 1.0
C15 A:JE61902 3.9 44.3 0.9
C18 A:JE61902 3.9 46.5 0.9
N3 A:HFG1901 4.0 52.7 1.0
C14 A:JE61902 4.2 49.7 0.9
N1 A:HFG1901 4.5 56.8 1.0
C3' A:HFG1901 4.5 41.0 1.0
C16 A:JE61902 4.5 43.4 0.9
CZ3 A:TRP1169 4.5 39.9 1.0
C2' A:HFG1901 4.6 42.0 1.0
C4' A:HFG1901 4.7 47.9 1.0
O A:HOH2075 4.7 57.5 1.0
C20 A:JE61902 4.9 44.7 0.9

Bromine binding site 3 out of 4 in 7x1o

Go back to Bromine Binding Sites List in 7x1o
Bromine binding site 3 out of 4 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95


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 Double Inhibitors Hf and L95 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1901

b:86.2
occ:1.00
 BR1 B:HFG1901 0.0 86.2 1.0
C7 B:HFG1901 1.9 59.3 1.0
C8 B:HFG1901 2.8 49.8 1.0
C6 B:HFG1901 2.9 50.6 1.0
CL1 B:HFG1901 3.3 54.7 1.0
O B:PHE1097 3.5 59.9 1.0
CB B:PRO1120 3.6 40.5 1.0
CG2 B:VAL1101 3.6 53.0 1.0
O B:GLU1100 3.6 48.6 1.0
C B:GLU1100 3.6 45.5 1.0
CG B:PRO1120 3.8 44.1 1.0
N B:VAL1101 3.8 42.7 1.0
CB B:GLU1100 3.9 58.7 1.0
CB B:PHE1097 4.1 63.0 1.0
C9 B:HFG1901 4.1 49.8 1.0
CA B:VAL1101 4.2 50.6 1.0
C5 B:HFG1901 4.2 47.9 1.0
CA B:GLU1100 4.3 53.7 1.0
C B:PHE1097 4.4 65.5 1.0
O B:HOH2015 4.5 72.4 1.0
CB B:VAL1101 4.5 53.5 1.0
CG B:PHE1097 4.6 59.5 1.0
CD1 B:PHE1097 4.6 61.7 1.0
CA B:PHE1097 4.7 66.9 1.0
CG B:ARG1152 4.7 46.0 1.0
C10 B:HFG1901 4.7 49.4 1.0
OE2 B:GLU1100 4.7 72.7 1.0
N B:GLU1100 4.9 54.7 1.0
CA B:ARG1152 4.9 46.8 1.0
CB B:ARG1152 4.9 40.5 1.0

Bromine binding site 4 out of 4 in 7x1o

Go back to Bromine Binding Sites List in 7x1o
Bromine binding site 4 out of 4 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95


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 Double Inhibitors Hf and L95 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1904

b:47.5
occ:0.46
 O B:HOH2097 3.0 74.9 1.0
O7' B:HFG1901 3.1 47.6 1.0
NH2 B:ARG1152 3.3 42.2 1.0
NH1 B:ARG1152 3.3 37.0 1.0
O4' B:HFG1901 3.5 53.1 1.0
C21 B:HFG1901 3.6 44.5 1.0
C39 B:HFG1901 3.6 41.9 1.0
C19 B:JE61902 3.6 43.4 0.9
C2 B:HFG1901 3.6 57.0 1.0
CZ B:ARG1152 3.7 49.2 1.0
C1' B:HFG1901 3.7 47.5 1.0
C18 B:JE61902 3.8 42.9 0.9
C15 B:JE61902 4.0 52.0 0.9
N3 B:HFG1901 4.1 48.9 1.0
C14 B:JE61902 4.3 50.6 0.9
C3' B:HFG1901 4.3 43.7 1.0
CZ3 B:TRP1169 4.4 42.4 1.0
N1 B:HFG1901 4.5 50.7 1.0
C2' B:HFG1901 4.6 38.7 1.0
C16 B:JE61902 4.6 44.0 0.9
C4' B:HFG1901 4.7 41.8 1.0
O B:HOH2101 4.7 38.5 0.6
C20 B:JE61902 4.7 38.9 0.9
CH2 B:TRP1169 5.0 40.1 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: Thu Jul 11 04:42:14 2024

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