Atomistry » Chlorine » PDB 7c74-7ckz » 7cbg
Atomistry »
  Chlorine »
    PDB 7c74-7ckz »
      7cbg »

Chlorine in PDB 7cbg: 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: 7cbg 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) 50.00 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.793, 101.796, 105.633, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 26.1

Other elements in 7cbg:

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

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor (pdb code 7cbg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor, PDB code: 7cbg:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7cbg

Go back to Chlorine Binding Sites List in 7cbg
Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl701

b:25.1
occ:1.00
 CL1 A:FQL701 0.0 25.1 1.0
C1 A:FQL701 1.7 24.7 1.0
C6 A:FQL701 2.7 24.3 1.0
C2 A:FQL701 2.7 24.7 1.0
CL2 A:FQL701 3.2 25.9 1.0
CE A:MET317 3.5 28.1 1.0
CG A:PRO331 3.6 17.2 1.0
CB A:TYR313 3.7 35.0 1.0
CB A:HIS309 3.9 35.3 1.0
C5 A:FQL701 4.0 24.0 1.0
C3 A:FQL701 4.0 24.4 1.0
CG A:TYR313 4.2 34.7 1.0
CE A:MET332 4.2 19.7 1.0
CG A:MET332 4.4 18.9 1.0
CZ3 A:TRP304 4.4 24.8 1.0
CD2 A:TYR313 4.4 34.7 1.0
CB A:PRO331 4.5 17.2 1.0
C4 A:FQL701 4.5 24.1 1.0
SD A:MET317 4.6 28.3 1.0
SD A:MET332 4.6 19.9 1.0
O A:HIS309 4.6 36.0 1.0
CG A:HIS309 4.6 35.3 1.0
CE3 A:TRP304 4.7 24.9 1.0
ND1 A:HIS309 4.9 35.6 1.0
C A:HIS309 4.9 35.9 1.0
CD A:PRO331 4.9 17.2 1.0

Chlorine binding site 2 out of 4 in 7cbg

Go back to Chlorine Binding Sites List in 7cbg
Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl 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
A:Cl701

b:25.9
occ:1.00
 CL2 A:FQL701 0.0 25.9 1.0
C2 A:FQL701 1.7 24.7 1.0
C3 A:FQL701 2.7 24.4 1.0
C1 A:FQL701 2.7 24.7 1.0
CL1 A:FQL701 3.2 25.1 1.0
CB A:PRO331 3.4 17.2 1.0
O A:TYR313 3.4 35.0 1.0
CG A:PRO331 3.4 17.2 1.0
CB A:ALA316 3.7 28.8 1.0
C A:ALA316 3.8 28.1 1.0
O A:ALA316 3.8 27.9 1.0
CB A:TYR313 3.8 35.0 1.0
CG A:MET317 3.8 27.6 1.0
SD A:MET317 3.9 28.3 1.0
N A:MET317 4.0 27.3 1.0
C4 A:FQL701 4.0 24.1 1.0
C6 A:FQL701 4.0 24.3 1.0
CE A:MET317 4.2 28.1 1.0
CA A:MET317 4.3 26.7 1.0
CA A:ALA316 4.3 28.9 1.0
C A:TYR313 4.3 35.1 1.0
C5 A:FQL701 4.5 24.0 1.0
CG A:TYR313 4.5 34.7 1.0
CB A:MET317 4.7 27.2 1.0
CA A:TYR313 4.7 35.4 1.0
CD A:PRO331 4.7 17.2 1.0
CD1 A:TYR313 4.7 34.5 1.0
CG A:ARG363 4.8 27.3 1.0
CA A:PRO331 4.9 17.3 1.0
N A:ALA316 4.9 29.7 1.0

Chlorine binding site 3 out of 4 in 7cbg

Go back to Chlorine Binding Sites List in 7cbg
Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl701

b:26.9
occ:1.00
 CL1 B:FQL701 0.0 26.9 1.0
C1 B:FQL701 1.7 26.0 1.0
C6 B:FQL701 2.7 25.8 1.0
C2 B:FQL701 2.7 26.0 1.0
CL2 B:FQL701 3.2 26.2 1.0
CE B:MET317 3.5 31.0 1.0
CG B:PRO331 3.5 19.6 1.0
CB B:TYR313 3.8 38.6 1.0
CB B:HIS309 3.9 44.1 1.0
C5 B:FQL701 4.0 25.5 1.0
C3 B:FQL701 4.0 25.8 1.0
CG B:TYR313 4.2 38.3 1.0
SD B:MET332 4.2 21.0 1.0
CZ3 B:TRP304 4.3 31.7 1.0
CB B:PRO331 4.4 19.6 1.0
CD2 B:TYR313 4.4 38.2 1.0
SD B:MET317 4.5 31.5 1.0
C4 B:FQL701 4.5 25.5 1.0
CG B:HIS309 4.6 44.8 1.0
CE3 B:TRP304 4.6 31.8 1.0
O B:HIS309 4.7 44.0 1.0
CD B:PRO331 4.7 19.6 1.0
ND1 B:HIS309 4.7 45.3 1.0
CG B:MET332 4.8 20.4 1.0
CG B:MET317 5.0 30.4 1.0
CE B:MET332 5.0 21.0 1.0
C B:HIS309 5.0 43.8 1.0
O B:TYR313 5.0 38.6 1.0

Chlorine binding site 4 out of 4 in 7cbg

Go back to Chlorine Binding Sites List in 7cbg
Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl701

b:26.2
occ:1.00
 CL2 B:FQL701 0.0 26.2 1.0
C2 B:FQL701 1.7 26.0 1.0
C3 B:FQL701 2.7 25.8 1.0
C1 B:FQL701 2.7 26.0 1.0
CL1 B:FQL701 3.2 26.9 1.0
CB B:PRO331 3.4 19.6 1.0
CG B:PRO331 3.4 19.6 1.0
O B:TYR313 3.5 38.6 1.0
O B:ALA316 3.5 30.3 1.0
C B:ALA316 3.7 30.7 1.0
CB B:TYR313 3.7 38.6 1.0
CG B:MET317 3.8 30.4 1.0
CB B:ALA316 3.9 31.7 1.0
SD B:MET317 3.9 31.5 1.0
C4 B:FQL701 4.0 25.5 1.0
C6 B:FQL701 4.0 25.8 1.0
N B:MET317 4.0 29.9 1.0
CE B:MET317 4.2 31.0 1.0
CA B:MET317 4.2 29.2 1.0
CA B:ALA316 4.3 31.8 1.0
C B:TYR313 4.4 38.6 1.0
CG B:TYR313 4.4 38.3 1.0
C5 B:FQL701 4.5 25.5 1.0
CD1 B:TYR313 4.6 37.9 1.0
CB B:MET317 4.6 29.9 1.0
CD B:PRO331 4.7 19.6 1.0
CA B:TYR313 4.7 39.0 1.0
CG B:ARG363 4.8 21.3 1.0
CA B:PRO331 4.9 19.6 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: Mon Jul 29 19:39:02 2024

Last articles

As in 2VQK
As in 2V98
As in 2V97
As in 2VQH
As in 2VDL
As in 2VEQ
As in 2VDK
As in 2V5C
As in 2V96
As in 2RA8
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy