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Bromine in PDB 4hvc: Crystal Structure of Human Prolyl-Trna Synthetase in Complex with Halofuginone and Atp Analogue

Enzymatic activity of Crystal Structure of Human Prolyl-Trna Synthetase in Complex with Halofuginone and Atp Analogue

All present enzymatic activity of Crystal Structure of Human Prolyl-Trna Synthetase in Complex with Halofuginone and Atp Analogue:
6.1.1.15; 6.1.1.17;

Protein crystallography data

The structure of Crystal Structure of Human Prolyl-Trna Synthetase in Complex with Halofuginone and Atp Analogue, PDB code: 4hvc was solved by H.Zhou, L.Sun, X.L.Yang, P.Schimmel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.43 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 72.544, 93.100, 87.004, 90.00, 107.95, 90.00
R / Rfree (%) 20.4 / 22.7

Other elements in 4hvc:

The structure of Crystal Structure of Human Prolyl-Trna Synthetase in Complex with Halofuginone and Atp Analogue also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Chlorine (Cl) 2 atoms
Zinc (Zn) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Human Prolyl-Trna Synthetase in Complex with Halofuginone and Atp Analogue (pdb code 4hvc). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Human Prolyl-Trna Synthetase in Complex with Halofuginone and Atp Analogue, PDB code: 4hvc:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 4hvc

Go back to Bromine Binding Sites List in 4hvc
Bromine binding site 1 out of 2 in the Crystal Structure of Human Prolyl-Trna Synthetase in Complex with Halofuginone and Atp Analogue


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Human Prolyl-Trna Synthetase in Complex with Halofuginone and Atp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1602

b:49.4
occ:1.00
BR1 A:HFG1602 0.0 49.4 1.0
C7 A:HFG1602 1.9 43.9 1.0
C8 A:HFG1602 2.8 41.1 1.0
C6 A:HFG1602 2.9 44.0 1.0
CL1 A:HFG1602 3.2 49.8 1.0
CG2 A:VAL1101 3.3 36.4 1.0
O A:PHE1097 3.4 43.5 1.0
CB A:PRO1120 3.6 33.8 1.0
CB A:GLU1100 3.6 39.4 1.0
N A:VAL1101 3.8 38.1 1.0
C A:GLU1100 3.8 38.4 1.0
CG A:PRO1120 3.9 34.5 1.0
CA A:VAL1101 4.1 36.5 1.0
CB A:PHE1097 4.1 42.9 1.0
C9 A:HFG1602 4.1 39.1 1.0
O A:GLU1100 4.1 37.4 1.0
C5 A:HFG1602 4.2 41.6 1.0
C A:PHE1097 4.2 43.9 1.0
CA A:GLU1100 4.2 39.9 1.0
CB A:VAL1101 4.3 36.9 1.0
OE1 A:GLU1100 4.3 39.8 1.0
C10 A:HFG1602 4.6 39.6 1.0
CA A:PHE1097 4.7 44.0 1.0
N A:GLU1100 4.7 41.4 1.0
CG A:PHE1097 4.8 43.5 1.0
CG A:GLU1100 4.8 41.6 1.0
CD1 A:PHE1097 4.9 43.8 1.0
CD A:GLU1100 5.0 42.9 1.0

Bromine binding site 2 out of 2 in 4hvc

Go back to Bromine Binding Sites List in 4hvc
Bromine binding site 2 out of 2 in the Crystal Structure of Human Prolyl-Trna Synthetase in Complex with Halofuginone and Atp Analogue


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Human Prolyl-Trna Synthetase in Complex with Halofuginone and Atp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1602

b:52.8
occ:1.00
BR1 B:HFG1602 0.0 52.8 1.0
C7 B:HFG1602 1.9 47.3 1.0
C8 B:HFG1602 2.9 44.1 1.0
C6 B:HFG1602 2.9 46.9 1.0
O B:PHE1097 3.3 51.0 1.0
CL1 B:HFG1602 3.3 53.4 1.0
CG2 B:VAL1101 3.4 41.4 1.0
CB B:PRO1120 3.5 35.4 1.0
CB B:GLU1100 3.6 44.5 1.0
N B:VAL1101 3.8 42.0 1.0
CG B:PRO1120 3.8 36.5 1.0
C B:GLU1100 3.8 42.3 1.0
CB B:PHE1097 4.0 52.6 1.0
C9 B:HFG1602 4.1 41.9 1.0
CA B:VAL1101 4.2 40.0 1.0
C B:PHE1097 4.2 52.5 1.0
C5 B:HFG1602 4.2 44.4 1.0
CA B:GLU1100 4.2 44.3 1.0
O B:GLU1100 4.2 41.8 1.0
OE1 B:GLU1100 4.2 47.1 1.0
CB B:VAL1101 4.3 41.1 1.0
CA B:PHE1097 4.6 53.6 1.0
N B:GLU1100 4.7 45.9 1.0
C10 B:HFG1602 4.7 41.6 1.0
CG B:PHE1097 4.7 52.8 1.0
CG B:GLU1100 4.7 46.5 1.0
CD1 B:PHE1097 4.9 52.8 1.0
CG B:ARG1152 4.9 35.0 1.0
CD B:GLU1100 4.9 48.3 1.0
CA B:PRO1120 5.0 34.4 1.0

Reference:

H.Zhou, L.Sun, X.L.Yang, P.Schimmel. Atp-Directed Capture of Bioactive Herbal-Based Medicine on Human Trna Synthetase. Nature V. 494 121 2012.
ISSN: ISSN 0028-0836
PubMed: 23263184
DOI: 10.1038/NATURE11774
Page generated: Sat Dec 12 02:20:10 2020

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