Sodium in PDB 6usa: 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;

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

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
Chlorine	(Cl)	4 atoms

The binding sites of Sodium 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 Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form, PDB code: 6usa:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 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 Sodium with other atoms in the Na 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 H:Na511 b:54.4 occ:1.00 O H:HOH775 2.7 36.8 1.0 OG1 H:THR284 2.7 31.9 1.0 O H:TYR320 2.8 31.1 1.0 O H:GLY322 2.8 29.2 1.0 O H:HOH722 3.2 26.7 1.0 O H:GLY246 3.3 26.0 1.0 O H:ALA282 3.5 31.6 1.0 CB H:THR284 3.7 29.6 1.0 C H:TYR320 3.9 28.1 1.0 C H:GLY322 4.0 24.9 1.0 C H:GLY246 4.1 26.4 1.0 O H:VAL245 4.2 23.7 1.0 N H:GLY322 4.4 23.1 1.0 CA H:GLY246 4.4 23.9 1.0 O H:LEU318 4.4 22.3 1.0 CB H:TYR320 4.5 21.2 1.0 N H:THR284 4.5 24.8 1.0 CD2 H:TYR320 4.5 25.9 1.0 CA H:TYR320 4.6 22.1 1.0 C H:ALA282 4.6 26.8 1.0 C H:PRO321 4.6 26.1 1.0 CG2 H:THR284 4.7 29.3 1.0 CA H:THR284 4.7 26.9 1.0 N H:PRO321 4.8 25.9 1.0 CA H:GLY322 4.8 20.6 1.0 CB H:ALA282 4.8 18.7 1.0 CB H:VAL323 4.8 19.0 1.0 N H:TYR320 4.8 21.1 1.0 CA H:PRO321 4.9 25.2 1.0 N H:VAL323 4.9 22.0 1.0 CG H:TYR320 5.0 24.0 1.0

Sodium binding site 2 out of 2 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 Sodium with other atoms in the Na 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 H:Na512 b:68.6 occ:1.00 O H:ARG68 2.8 26.9 1.0 O B:HOH746 2.9 51.4 1.0 NE2 B:GLN52 3.0 20.3 0.4 O H:ALA63 3.0 29.0 1.0 O B:HOH764 3.0 53.4 1.0 C H:GLY67 3.6 29.3 1.0 O H:GLY67 3.8 32.1 1.0 C H:ARG68 3.8 25.6 1.0 CA H:GLY67 3.9 29.9 1.0 C H:ALA63 3.9 26.1 1.0 CB F:PRO71 3.9 24.1 1.0 N H:ARG68 4.0 26.1 1.0 CD B:GLN52 4.0 25.0 0.4 OE1 B:GLN52 4.2 27.5 0.4 CA H:ALA63 4.4 24.4 1.0 CA F:PRO71 4.5 25.9 1.0 CG F:PRO71 4.6 24.6 1.0 CA H:ARG68 4.6 23.1 1.0 CD F:PRO71 4.6 22.9 1.0 N F:PRO71 4.7 23.8 1.0 O F:PRO69 4.7 31.4 1.0 N H:PRO69 4.7 25.3 1.0 OE1 B:GLN52 4.8 25.3 0.6 N H:GLY67 4.8 29.6 1.0 CD H:PRO69 4.8 23.9 1.0 CB H:ALA63 4.9 16.1 1.0 O F:HOH767 4.9 32.8 1.0

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