Chlorine in PDB 6usa: Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form

Enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form

All present enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form:
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form, PDB code: 6usa was solved by C.Chang, K.Michalska, N.I.Maltseva, R.Jedrzejczak, P.Mccarren, P.P.Nag, A.Joachimiak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.89 / 2.41
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 134.920, 160.037, 165.151, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 19.2

Other elements in 6usa:

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form also contains other interesting chemical elements:

Potassium (K) 10 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form (pdb code 6usa). 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 Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form, PDB code: 6usa:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6usa

Go back to Chlorine Binding Sites List in 6usa
Chlorine binding site 1 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


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 Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:47.1
occ:1.00
CL21 B:PZJ501 0.0 47.1 1.0
C20 B:PZJ501 1.8 39.1 1.0
C19 B:PZJ501 2.8 34.0 1.0
C15 B:PZJ501 2.8 34.0 1.0
N03 B:PZJ501 3.1 34.9 1.0
C04 B:PZJ501 3.3 33.6 1.0
CD1 B:LEU34 3.4 35.3 1.0
CE3 B:TRP191 3.7 22.8 1.0
CZ3 B:TRP191 3.7 24.5 1.0
CD1 B:PHE188 4.0 29.7 1.0
C18 B:PZJ501 4.1 30.3 1.0
C16 B:PZJ501 4.1 29.9 1.0
C02 B:PZJ501 4.1 34.3 1.0
CG B:PRO208 4.1 21.2 1.0
CG1 B:VAL30 4.2 31.4 1.0
CD B:PRO208 4.4 22.8 1.0
C05 B:PZJ501 4.4 36.4 1.0
CE1 B:PHE188 4.5 29.1 1.0
CD1 B:ILE38 4.5 40.4 1.0
CD2 B:TYR200 4.6 30.7 1.0
C17 B:PZJ501 4.6 28.8 1.0
CE2 B:TYR200 4.6 30.4 1.0
CG B:LEU34 4.9 32.1 1.0

Chlorine binding site 2 out of 4 in 6usa

Go back to Chlorine Binding Sites List in 6usa
Chlorine binding site 2 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


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 Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:39.9
occ:1.00
CL21 D:PZJ501 0.0 39.9 1.0
C20 D:PZJ501 1.8 34.4 1.0
C19 D:PZJ501 2.8 31.1 1.0
C15 D:PZJ501 2.8 32.5 1.0
N03 D:PZJ501 3.1 30.6 1.0
C04 D:PZJ501 3.3 30.3 1.0
CD1 D:LEU34 3.3 29.2 1.0
CE3 D:TRP191 3.6 25.5 1.0
CZ3 D:TRP191 3.7 23.2 1.0
CD1 D:PHE188 4.0 29.7 1.0
C16 D:PZJ501 4.1 33.8 1.0
C18 D:PZJ501 4.1 28.3 1.0
CG D:PRO208 4.2 22.7 1.0
CG1 D:VAL30 4.2 33.5 1.0
CD D:PRO208 4.4 26.9 1.0
C05 D:PZJ501 4.4 33.6 1.0
C02 D:PZJ501 4.5 32.4 1.0
CD1 D:ILE38 4.5 29.9 1.0
CD2 D:TYR200 4.5 27.6 1.0
C17 D:PZJ501 4.6 32.5 1.0
CE1 D:PHE188 4.6 33.2 1.0
CE2 D:TYR200 4.6 27.4 1.0
CG D:LEU34 4.7 29.2 1.0
CD2 D:TRP191 5.0 24.9 1.0
CG D:PHE188 5.0 27.1 1.0

Chlorine binding site 3 out of 4 in 6usa

Go back to Chlorine Binding Sites List in 6usa
Chlorine binding site 3 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


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 Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl501

b:47.3
occ:1.00
CL21 F:PZJ501 0.0 47.3 1.0
C20 F:PZJ501 1.8 41.4 1.0
C19 F:PZJ501 2.8 38.1 1.0
C15 F:PZJ501 2.8 37.9 1.0
N03 F:PZJ501 3.1 37.2 1.0
C04 F:PZJ501 3.4 36.3 1.0
CD1 F:LEU34 3.5 36.8 1.0
CE3 F:TRP191 3.6 19.2 1.0
CZ3 F:TRP191 3.7 20.6 1.0
CD1 F:PHE188 4.0 34.3 1.0
C18 F:PZJ501 4.1 37.9 1.0
C16 F:PZJ501 4.1 38.3 1.0
CG F:PRO208 4.2 25.7 1.0
C02 F:PZJ501 4.4 36.7 1.0
CG1 F:VAL30 4.4 40.7 1.0
CD1 F:ILE38 4.5 26.7 1.0
CD2 F:TYR200 4.5 33.5 1.0
CD F:PRO208 4.5 25.5 1.0
C05 F:PZJ501 4.5 38.5 1.0
C17 F:PZJ501 4.6 39.0 1.0
CE2 F:TYR200 4.6 30.3 1.0
CE1 F:PHE188 4.7 32.5 1.0
CG F:LEU34 4.9 35.8 1.0
CD2 F:TRP191 4.9 20.9 1.0

Chlorine binding site 4 out of 4 in 6usa

Go back to Chlorine Binding Sites List in 6usa
Chlorine binding site 4 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


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 Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl501

b:40.0
occ:1.00
CL21 H:PZJ501 0.0 40.0 1.0
C20 H:PZJ501 1.8 33.7 1.0
C19 H:PZJ501 2.8 31.3 1.0
C15 H:PZJ501 2.8 31.2 1.0
N03 H:PZJ501 3.1 30.2 1.0
C04 H:PZJ501 3.2 27.0 1.0
CD1 H:LEU34 3.5 34.8 1.0
CE3 H:TRP191 3.8 22.7 1.0
CZ3 H:TRP191 3.8 24.4 1.0
CD1 H:PHE188 3.9 24.8 1.0
C02 H:PZJ501 4.0 30.6 1.0
C18 H:PZJ501 4.1 31.0 1.0
C16 H:PZJ501 4.1 29.8 1.0
CG H:PRO208 4.2 20.7 1.0
C05 H:PZJ501 4.3 30.6 1.0
CG1 H:VAL30 4.3 30.6 1.0
CD H:PRO208 4.4 18.6 1.0
CE1 H:PHE188 4.5 24.5 1.0
CD2 H:TYR200 4.5 32.0 1.0
CD1 H:ILE38 4.6 24.9 1.0
C17 H:PZJ501 4.6 29.5 1.0
CE2 H:TYR200 4.6 32.0 1.0
CG H:LEU34 4.9 31.6 1.0
CG H:PHE188 5.0 24.8 1.0

Reference:

K.Michalska, C.Chang, N.I.Maltseva, R.Jedrzejczak, G.T.Robertson, F.Gusovsky, P.Mccarren, S.L.Schreiber, P.P.Nag, A.Joachimiak. Allosteric Inhibitors of Mycobacterium Tuberculosis Tryptophan Synthase. Protein Sci. V. 29 779 2020.
ISSN: ESSN 1469-896X
PubMed: 31930594
DOI: 10.1002/PRO.3825
Page generated: Sat Dec 12 14:09:02 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