Bromine in PDB 7cbh: Crystal Structure of Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor

Enzymatic activity of Crystal Structure of Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor

All present enzymatic activity of Crystal Structure of Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor:
6.1.1.3;

Protein crystallography data

The structure of Crystal Structure of Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor, PDB code: 7cbh was solved by J.Guo, B.Chen, H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.36 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.183, 101.267, 103.427, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 21.5

Other elements in 7cbh:

The structure of Crystal Structure of Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor (pdb code 7cbh). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor, PDB code: 7cbh:

Bromine binding site 1 out of 1 in 7cbh

Go back to Bromine Binding Sites List in 7cbh
Bromine binding site 1 out of 1 in the Crystal Structure of Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor


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 Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br701

b:70.2
occ:1.00
BR2 A:FQR701 0.0 70.2 1.0
C21 A:FQR701 1.9 54.1 1.0
C22 A:FQR701 2.8 54.3 1.0
C20 A:FQR701 2.9 50.1 1.0
CL2 A:FQR701 3.3 48.7 1.0
CB A:PRO331 3.6 21.1 1.0
CG A:ARG363 3.7 35.8 1.0
CB A:ALA316 3.7 33.5 1.0
CD A:ARG363 3.7 39.1 1.0
O A:ALA316 3.8 27.3 1.0
C A:ALA316 4.0 29.6 1.0
CB A:TYR313 4.0 42.8 1.0
CG A:MET317 4.0 36.5 1.0
O A:TYR313 4.1 37.9 1.0
CG A:PRO331 4.1 20.4 1.0
C16 A:FQR701 4.1 54.0 1.0
CD1 A:TYR313 4.1 43.9 1.0
C19 A:FQR701 4.2 51.1 1.0
CG A:TYR313 4.3 44.1 1.0
CA A:ALA316 4.4 32.6 1.0
N A:MET317 4.4 29.2 1.0
NE A:ARG363 4.6 43.3 1.0
C15 A:FQR701 4.7 53.6 1.0
CA A:MET317 4.8 29.4 1.0
NH1 A:ARG363 4.9 40.0 1.0
C A:TYR313 4.9 40.4 1.0
CA A:TYR313 4.9 42.0 1.0
CB A:ARG363 4.9 29.9 1.0
CB A:MET317 5.0 33.0 1.0

Reference:

J.Guo, B.Chen, Y.Yu, B.Cheng, Y.Ju, J.Tang, Z.Cai, Q.Gu, J.Xu, H.Zhou. Structure-Guided Optimization and Mechanistic Study of A Class of Quinazolinone-Threonine Hybrids As Antibacterial Thrrs Inhibitors. Eur.J.Med.Chem. V. 207 12848 2020.
ISSN: ISSN 0223-5234
PubMed: 32980741
DOI: 10.1016/J.EJMECH.2020.112848
Page generated: Sat Dec 12 02:45:46 2020

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