Sodium in PDB 5ugs: Crystal Structure of M. Tuberculosis Inha Inhibited By PT501

All present enzymatic activity of Crystal Structure of M. Tuberculosis Inha Inhibited By PT501:
1.3.1.9;

The structure of Crystal Structure of M. Tuberculosis Inha Inhibited By PT501, PDB code: 5ugs was solved by S.Eltschkner, A.Pschibul, L.A.Spagnuolo, W.Yu, P.J.Tonge, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.30 / 2.80
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	91.920, 130.359, 176.360, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 24.4

The structure of Crystal Structure of M. Tuberculosis Inha Inhibited By PT501 also contains other interesting chemical elements:

Chlorine

(Cl)

10 atoms

The binding sites of Sodium atom in the Crystal Structure of M. Tuberculosis Inha Inhibited By PT501 (pdb code 5ugs). 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 PT501, PDB code: 5ugs:

Sodium binding site 1 out of 1 in the Crystal Structure of M. Tuberculosis Inha Inhibited By PT501


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 PT501 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na304 b:33.0 occ:1.00 O B:HOH434 2.3 32.6 1.0 O B:ALA226 2.5 39.2 1.0 O B:ASP223 2.7 50.6 1.0 O B:HOH401 3.2 28.3 1.0 O B:GLN224 3.3 51.0 1.0 C B:ALA226 3.6 36.5 1.0 C B:GLN224 3.8 50.6 1.0 C B:ASP223 3.9 50.0 1.0 CA B:GLN224 4.0 51.8 1.0 O B:HOH405 4.2 41.1 1.0 N B:ALA226 4.3 35.4 1.0 N B:PRO227 4.4 36.3 1.0 N B:GLY229 4.5 38.6 1.0 CA B:PRO227 4.5 38.2 1.0 CA B:ALA226 4.5 35.3 1.0 N B:GLN224 4.5 50.5 1.0 C B:PRO227 4.6 39.2 1.0 CA B:GLY229 4.6 39.5 1.0 C B:ARG225 4.7 46.6 1.0 N B:ARG225 4.7 49.0 1.0 O B:PRO227 4.8 41.6 1.0 CB B:ALA226 4.9 34.4 1.0

L.A.Spagnuolo, S.Eltschkner, W.Yu, F.Daryaee, S.Davoodi, S.E.Knudson, E.K.Allen, J.Merino, A.Pschibul, B.Moree, N.Thivalapill, J.J.Truglio, J.Salafsky, R.A.Slayden, C.Kisker, P.J.Tonge. Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based Inha Inhibitors. J. Am. Chem. Soc. V. 139 3417 2017.
ISSN: ESSN 1520-5126
PubMed: 28151657
DOI: 10.1021/JACS.6B11148