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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

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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: Mon Jul 29 15:58:45 2024

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