Zinc 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:

Bromine (Br) 1 atom
Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Threonyl-Trna Synthetase (Thrrs) From Salmonella Enterica in Complex with An Inhibitor, PDB code: 7cbh:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7cbh

Go back to Zinc Binding Sites List in 7cbh
Zinc 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 Zinc with other atoms in the Zn 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:Zn702

b:19.9
occ:1.00
 NE2 A:HIS385 2.0 18.1 1.0
N7 A:FQR701 2.1 27.9 1.0
ND1 A:HIS511 2.1 19.3 1.0
O8 A:FQR701 2.2 25.7 1.0
SG A:CYS334 2.3 20.4 1.0
CE1 A:HIS385 2.9 18.8 1.0
C3 A:FQR701 2.9 28.7 1.0
CE1 A:HIS511 3.0 19.6 1.0
CD2 A:HIS385 3.1 19.2 1.0
C5 A:FQR701 3.1 28.1 1.0
CG A:HIS511 3.2 19.7 1.0
CB A:CYS334 3.3 19.3 1.0
CB A:HIS511 3.5 19.2 1.0
O A:HOH827 3.8 20.3 1.0
ND1 A:HIS385 4.1 18.0 1.0
CA A:CYS334 4.1 18.9 1.0
CG A:HIS385 4.2 18.6 1.0
NE2 A:HIS511 4.2 18.9 1.0
CD2 A:HIS511 4.3 19.7 1.0
OD2 A:ASP383 4.3 21.9 1.0
N A:CYS334 4.3 19.0 1.0
C6 A:FQR701 4.3 27.8 1.0
OD1 A:ASP383 4.3 22.2 1.0
C2 A:FQR701 4.4 30.8 1.0
CA A:HIS511 4.5 19.1 1.0
O A:HOH978 4.6 25.1 1.0
CG A:ASP383 4.8 21.6 1.0
O4 A:FQR701 4.9 30.6 1.0

Zinc binding site 2 out of 2 in 7cbh

Go back to Zinc Binding Sites List in 7cbh
Zinc 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 Zinc with other atoms in the Zn 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:Zn701

b:24.3
occ:1.00
 NE2 B:HIS385 2.0 19.5 1.0
ND1 B:HIS511 2.2 22.5 1.0
SG B:CYS334 2.3 24.6 1.0
CE1 B:HIS385 3.0 19.5 1.0
CE1 B:HIS511 3.0 23.8 1.0
CD2 B:HIS385 3.0 19.6 1.0
CG B:HIS511 3.2 23.1 1.0
CB B:CYS334 3.3 23.3 1.0
CB B:HIS511 3.5 23.5 1.0
O B:HOH810 3.7 22.8 1.0
ND1 B:HIS385 4.1 19.2 1.0
NE2 B:HIS511 4.2 23.6 1.0
CG B:HIS385 4.2 20.0 1.0
CA B:CYS334 4.2 23.1 1.0
CD2 B:HIS511 4.2 24.7 1.0
OD2 B:ASP383 4.3 24.3 1.0
N B:CYS334 4.3 21.9 1.0
CE B:MET332 4.3 40.1 1.0
OH B:TYR462 4.3 28.7 1.0
OD1 B:ASP383 4.4 22.9 1.0
CA B:HIS511 4.6 22.7 1.0
CG B:ASP383 4.8 22.5 1.0
OE1 B:GLN484 4.8 26.9 1.0
CZ B:TYR462 5.0 27.9 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: Wed Dec 16 13:39:52 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy