Atomistry » Bromine » PDB 7ale-7cpd » 7cbi
Atomistry »
  Bromine »
    PDB 7ale-7cpd »
      7cbi »

Bromine in PDB 7cbi: 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: 7cbi 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 / 1.59
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.077, 101.162, 103.548, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 20.8

Other elements in 7cbi:

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) 2 atoms
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 7cbi). 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 Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor, PDB code: 7cbi:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 7cbi

Go back to Bromine Binding Sites List in 7cbi
Bromine binding site 1 out of 2 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:Br702

b:61.9
occ:1.00
 BR8 A:FQU702 0.0 61.9 1.0
C2 A:FQU702 1.9 57.0 1.0
C3 A:FQU702 2.8 55.5 1.0
C1 A:FQU702 2.9 55.7 1.0
CL7 A:FQU702 3.3 59.3 1.0
CB A:ALA316 3.5 28.0 1.0
CG A:ARG363 3.7 21.6 1.0
CB A:PRO331 3.8 12.7 1.0
O A:ALA316 3.8 24.4 1.0
C A:ALA316 3.9 25.1 1.0
CB A:TYR313 4.0 44.7 1.0
O A:TYR313 4.0 40.5 1.0
CD A:ARG363 4.1 24.5 1.0
CG A:MET317 4.1 25.9 1.0
C4 A:FQU702 4.1 53.8 1.0
NE A:ARG363 4.2 27.2 1.0
C6 A:FQU702 4.2 54.0 1.0
CG A:PRO331 4.3 12.9 1.0
CA A:ALA316 4.3 27.6 1.0
N A:MET317 4.4 22.7 1.0
CB A:ARG363 4.4 19.2 1.0
CD1 A:TYR313 4.4 46.6 1.0
CG A:TYR313 4.5 46.2 1.0
C5 A:FQU702 4.7 52.9 1.0
CA A:MET317 4.8 21.8 1.0
C A:TYR313 4.9 42.3 1.0
CA A:TYR313 4.9 43.8 1.0
CA A:ARG363 4.9 16.9 1.0

Bromine binding site 2 out of 2 in 7cbi

Go back to Bromine Binding Sites List in 7cbi
Bromine binding site 2 out of 2 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 2 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
B:Br703

b:27.7
occ:1.00
 BR8 B:FQU703 0.0 27.7 1.0
C2 B:FQU703 1.9 27.5 1.0
C3 B:FQU703 2.8 27.2 1.0
C1 B:FQU703 2.9 27.8 1.0
O B:ALA316 3.2 20.0 1.0
CL7 B:FQU703 3.3 28.0 1.0
CB B:ALA316 3.6 20.3 1.0
C B:ALA316 3.6 19.3 1.0
CG B:ARG363 3.9 21.1 1.0
CB B:PRO331 3.9 14.1 1.0
CG B:MET317 4.0 21.4 1.0
CB B:TYR313 4.1 23.7 1.0
C4 B:FQU703 4.1 27.4 1.0
C6 B:FQU703 4.2 28.1 1.0
CA B:ALA316 4.3 20.3 1.0
CD2 B:TYR313 4.3 24.6 1.0
CG B:TYR313 4.3 24.1 1.0
N B:MET317 4.3 18.8 1.0
NE B:ARG363 4.4 25.2 1.0
O B:TYR313 4.4 20.9 1.0
CD B:ARG363 4.4 23.3 1.0
CA B:ARG363 4.5 16.7 1.0
CB B:ARG363 4.6 19.0 1.0
CA B:MET317 4.6 18.6 1.0
C5 B:FQU703 4.7 27.5 1.0
O B:HIS362 4.7 13.9 1.0
CG B:PRO331 4.8 14.3 1.0
CB B:MET317 4.9 20.0 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: Thu Jul 11 03:40:31 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