Potassium in PDB 5tcf: Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Ligand-Free Form

All present enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Ligand-Free Form:
4.2.1.20;

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Ligand-Free Form, PDB code: 5tcf was solved by K.Michalska, N.Maltseva, R.Jedrzejczak, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.46
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	135.137, 157.989, 166.651, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20.7

The binding sites of Potassium atom in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Ligand-Free Form (pdb code 5tcf). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Ligand-Free Form, PDB code: 5tcf:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Ligand-Free Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Ligand-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ B:K505 b:62.0 occ:1.00 O B:HOH690 2.8 39.2 1.0 O D:GLY67 2.8 30.5 1.0 O B:GLY67 3.0 31.6 1.0 O D:HOH685 3.0 37.9 1.0 O B:PRO69 3.3 32.2 1.0 O D:PRO69 3.3 28.1 1.0 C D:GLY67 3.9 30.6 1.0 C B:GLY67 4.0 29.6 1.0 O B:HOH648 4.0 39.3 1.0 O D:HOH609 4.1 29.5 1.0 C B:PRO69 4.4 29.5 1.0 C D:PRO69 4.5 26.6 1.0 O B:HOH663 4.5 51.9 1.0 CA D:GLY67 4.5 30.4 1.0 CA B:GLY67 4.6 29.2 1.0 O D:HOH654 4.6 36.1 1.0 C D:ARG68 4.7 29.9 1.0 C B:ARG68 4.8 31.0 1.0 O D:ARG68 4.9 32.4 1.0 N D:PRO69 4.9 29.1 1.0 N D:ARG68 4.9 29.8 1.0 N B:PRO69 4.9 31.8 1.0 O B:ARG68 4.9 31.3 1.0

Potassium binding site 2 out of 3 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Ligand-Free Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Ligand-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ B:K506 b:73.8 occ:1.00 OG1 B:THR284 2.9 32.1 1.0 O B:TYR320 2.9 40.6 1.0 O B:HOH652 3.0 39.8 1.0 O B:ALA282 3.1 33.8 1.0 O B:GLY322 3.2 35.2 1.0 O B:GLY246 3.7 33.2 1.0 CB B:THR284 3.9 33.2 1.0 O B:LEU318 4.0 38.2 1.0 C B:TYR320 4.0 41.6 1.0 O B:VAL245 4.1 30.0 1.0 C B:ALA282 4.3 33.6 1.0 C B:GLY322 4.4 33.8 1.0 C B:GLY246 4.4 30.0 1.0 N B:THR284 4.4 33.2 1.0 CA B:GLY246 4.5 29.7 1.0 CB B:ALA282 4.5 33.8 1.0 CB B:TYR320 4.6 41.9 1.0 N B:TYR320 4.7 42.5 1.0 N B:GLY322 4.7 36.9 1.0 CA B:TYR320 4.7 42.5 1.0 CD2 B:TYR320 4.8 44.0 1.0 C B:PRO321 4.8 39.0 1.0 CA B:THR284 4.8 33.6 1.0 C B:VAL245 5.0 29.1 1.0 CA B:ALA282 5.0 34.1 1.0

Potassium binding site 3 out of 3 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Ligand-Free Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Ligand-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ H:K503 b:74.5 occ:1.00 OG1 H:THR284 2.8 30.5 1.0 O H:TYR320 3.0 46.6 1.0 O H:GLY322 3.1 34.5 1.0 O H:HOH677 3.2 36.6 1.0 O H:GLY246 3.3 31.1 1.0 O H:ALA282 3.5 30.2 1.0 CB H:THR284 3.8 30.5 1.0 O H:VAL245 3.9 29.6 1.0 C H:GLY246 4.1 29.2 1.0 C H:TYR320 4.2 46.4 1.0 O H:LEU318 4.3 37.5 1.0 C H:GLY322 4.3 33.3 1.0 CA H:GLY246 4.3 29.5 1.0 N H:THR284 4.5 30.7 1.0 C H:ALA282 4.6 29.9 1.0 CB H:TYR320 4.7 47.6 1.0 C H:VAL245 4.7 29.5 1.0 CG2 H:THR284 4.8 31.4 1.0 CD2 H:TYR320 4.8 50.6 1.0 CA H:THR284 4.8 30.9 1.0 CA H:TYR320 4.9 46.8 1.0 CB H:VAL323 4.9 29.3 1.0 N H:TYR320 4.9 45.8 1.0 N H:GLY322 4.9 37.8 1.0 C H:PRO321 4.9 40.6 1.0 CB H:ALA282 4.9 29.9 1.0 OE1 H:GLU270 5.0 34.1 1.0

S.Wellington, P.P.Nag, K.Michalska, S.E.Johnston, R.P.Jedrzejczak, V.K.Kaushik, A.E.Clatworthy, N.Siddiqi, P.Mccarren, B.Bajrami, N.I.Maltseva, S.Combs, S.L.Fisher, A.Joachimiak, S.L.Schreiber, D.T.Hung. A Small-Molecule Allosteric Inhibitor of Mycobacterium Tuberculosis Tryptophan Synthase. Nat. Chem. Biol. V. 13 943 2017.
ISSN: ESSN 1552-4469
PubMed: 28671682
DOI: 10.1038/NCHEMBIO.2420