Sodium in PDB 6yuu: Crystal Structure of M. Tuberculosis Inha Inhibited By SKTS1

All present enzymatic activity of Crystal Structure of M. Tuberculosis Inha Inhibited By SKTS1:
1.3.1.9;

The structure of Crystal Structure of M. Tuberculosis Inha Inhibited By SKTS1, PDB code: 6yuu was solved by S.Eltschkner, J.Schiebel, J.Kehrein, T.A.Le, S.Davoodi, B.Merget, J.D.Weinrich, P.J.Tonge, B.Engels, C.A.Sotriffer, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.70 / 2.01
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	95.524, 95.524, 128.369, 90, 90, 120
R / Rfree (%)	13.7 / 17.8

The structure of Crystal Structure of M. Tuberculosis Inha Inhibited By SKTS1 also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Sodium atom in the Crystal Structure of M. Tuberculosis Inha Inhibited By SKTS1 (pdb code 6yuu). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of M. Tuberculosis Inha Inhibited By SKTS1, PDB code: 6yuu:

Sodium binding site 1 out of 1 in the Crystal Structure of M. Tuberculosis Inha Inhibited By SKTS1


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 M. Tuberculosis Inha Inhibited By SKTS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na308 b:34.6 occ:1.00 O A:HOH630 2.3 37.2 1.0 O A:HOH601 2.4 34.4 1.0 O A:ALA226 2.4 31.3 1.0 O A:ASP223 2.4 34.5 1.0 O A:HOH629 2.5 40.8 1.0 O A:GLN224 2.6 34.9 1.0 C A:GLN224 3.2 35.5 1.0 O A:HOH403 3.4 44.5 1.0 C A:ALA226 3.4 31.9 1.0 C A:ASP223 3.5 34.6 1.0 CA A:GLN224 3.7 35.8 1.0 N A:ALA226 3.9 30.6 1.0 N A:GLN224 4.1 33.7 1.0 O A:HOH693 4.1 54.0 1.0 N A:ARG225 4.1 34.4 1.0 CA A:ALA226 4.2 31.1 1.0 N A:GLY229 4.2 35.9 1.0 C A:ARG225 4.2 35.6 1.0 CA A:GLY229 4.3 35.9 1.0 N A:PRO227 4.4 32.8 1.0 CA A:PRO227 4.5 32.0 1.0 O A:HOH429 4.5 43.1 1.0 C A:PRO227 4.6 32.8 1.0 CB A:ALA226 4.6 31.6 1.0 O A:ARG225 4.7 33.8 1.0 CA A:ARG225 4.7 36.9 1.0 O A:HOH410 4.7 42.9 1.0 CA A:ASP223 4.8 33.1 1.0 O A:PRO227 4.8 32.4 1.0 O A:HOH628 4.9 52.6 1.0

S.Eltschkner, J.Kehrein, T.A.Le, S.Davoodi, B.Merget, S.Basak, J.D.Weinrich, J.Schiebel, P.J.Tonge, B.Engels, C.Sotriffer, C.Kisker. A Long Residence Time Enoyl-Reductase Inhibitor Explores An Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure. Acs Infect Dis. 2021.
ISSN: ESSN 2373-8227
PubMed: 33710875
DOI: 10.1021/ACSINFECDIS.0C00437