Chlorine in PDB 5tqu: Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor

Enzymatic activity of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor

All present enzymatic activity of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor:
6.1.1.10;

Protein crystallography data

The structure of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor, PDB code: 5tqu was solved by X.Barros-Alvarez, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 103.79 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 87.960, 106.320, 207.590, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 24.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor (pdb code 5tqu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor, PDB code: 5tqu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5tqu

Go back to Chlorine Binding Sites List in 5tqu
Chlorine binding site 1 out of 2 in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl801

b:54.5
occ:1.00
CL1 B:I53801 0.0 54.5 1.0
C18 B:I53801 1.7 54.4 1.0
C19 B:I53801 2.7 55.3 1.0
C17 B:I53801 2.7 57.2 1.0
OH B:TYR481 3.4 53.8 1.0
CG1 B:ILE248 3.6 50.9 1.0
N B:ILE248 3.8 54.1 1.0
NE2 B:HIS523 3.9 50.8 1.0
CZ B:TYR481 3.9 49.7 1.0
C16 B:I53801 4.0 63.6 1.0
ND2 B:ASN480 4.0 54.8 1.0
C20 B:I53801 4.0 57.9 1.0
CE1 B:HIS523 4.0 52.5 1.0
O B:ALA477 4.0 55.5 1.0
CA B:PRO247 4.3 53.6 1.0
CE2 B:TYR481 4.3 54.0 1.0
C B:ALA477 4.3 56.2 1.0
CD1 B:ILE248 4.5 51.5 1.0
O B:ILE248 4.5 60.8 1.0
CB B:PRO247 4.5 56.8 1.0
C15 B:I53801 4.5 60.2 1.0
CB B:ALA477 4.5 53.6 1.0
C B:PRO247 4.5 53.3 1.0
N B:LEU478 4.6 53.4 1.0
CB B:ILE248 4.6 50.9 1.0
CA B:ILE248 4.7 52.7 1.0
CA B:LEU478 4.7 51.5 1.0
CD2 B:LEU478 4.7 61.0 1.0
CE1 B:TYR481 4.7 49.1 1.0

Chlorine binding site 2 out of 2 in 5tqu

Go back to Chlorine Binding Sites List in 5tqu
Chlorine binding site 2 out of 2 in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl801

b:87.2
occ:1.00
CL B:I53801 0.0 87.2 1.0
C16 B:I53801 1.7 63.6 1.0
C17 B:I53801 2.7 57.2 1.0
C15 B:I53801 2.7 60.2 1.0
C14 B:I53801 3.3 60.0 1.0
CE3 B:TRP474 3.5 60.7 1.0
CD2 B:PHE522 3.6 52.2 1.0
CB B:PHE522 3.6 52.2 1.0
CZ3 B:TRP474 3.7 57.1 1.0
CG B:PHE522 3.8 51.2 1.0
C18 B:I53801 4.0 54.4 1.0
C20 B:I53801 4.0 57.9 1.0
CG B:LEU478 4.1 56.3 1.0
CD2 B:LEU478 4.4 61.0 1.0
CD1 B:LEU478 4.4 57.0 1.0
CE2 B:PHE522 4.5 52.6 1.0
C19 B:I53801 4.5 55.3 1.0
O B:VAL473 4.5 58.5 1.0
CA B:TRP474 4.6 55.1 1.0
C2 B:I53801 4.7 61.9 1.0
CG2 B:VAL473 4.7 69.1 1.0
CD2 B:TRP474 4.8 59.2 1.0
CD1 B:PHE522 4.8 51.5 1.0
CB B:ALA477 4.8 53.6 1.0
O B:TRP474 4.9 58.2 1.0
C B:VAL473 5.0 62.3 1.0
N B:I53801 5.0 59.9 1.0
CG1 B:VAL473 5.0 64.4 1.0

Reference:

W.G.Devine, R.Diaz-Gonzalez, G.Ceballos-Perez, D.Rojas, T.Satoh, W.Tear, R.M.Ranade, X.Barros-Alvarez, W.G.Hol, F.S.Buckner, M.Navarro, M.P.Pollastri. From Cells to Mice to Target: Characterization of Neu-1053 (Sb-443342) and Its Analogues For Treatment of Human African Trypanosomiasis. Acs Infect Dis V. 3 225 2017.
ISSN: ESSN 2373-8227
PubMed: 28110521
DOI: 10.1021/ACSINFECDIS.6B00202
Page generated: Sat Dec 12 12:29:07 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