Sodium in PDB 7mcn: Crystal Structure of Staphylococcus Aureus Cystathionine Gamma-Lyase, Holoenzyme with High Hepes

All present enzymatic activity of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma-Lyase, Holoenzyme with High Hepes:
2.5.1.48; 4.4.1.1; 4.4.1.8;

The structure of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma-Lyase, Holoenzyme with High Hepes, PDB code: 7mcn was solved by A.Nuthanakanti, A.Serganov, A.Kaushik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.60 / 2.52
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	104.282, 104.282, 287.676, 90, 90, 90
R / Rfree (%)	16.4 / 18.9

The binding sites of Sodium atom in the Crystal Structure of Staphylococcus Aureus Cystathionine Gamma-Lyase, Holoenzyme with High Hepes (pdb code 7mcn). 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 Staphylococcus Aureus Cystathionine Gamma-Lyase, Holoenzyme with High Hepes, PDB code: 7mcn:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Staphylococcus Aureus Cystathionine Gamma-Lyase, Holoenzyme with High Hepes


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 Staphylococcus Aureus Cystathionine Gamma-Lyase, Holoenzyme with High Hepes within 5.0Å range: probe atom residue distance (Å) B Occ H:Na403 b:73.5 occ:1.00 O H:HOH625 2.6 63.2 1.0 O H:HOH514 2.9 40.1 1.0 O H:HOH654 3.0 63.1 1.0 O H:HOH542 3.2 62.1 1.0 O H:GLY186 4.2 45.9 1.0 O H:HOH535 4.3 45.6 1.0 O H:HOH519 4.3 44.6 1.0 OD1 H:ASP188 4.5 46.9 1.0 O H:ILE187 4.5 40.2 1.0 C H:GLY186 4.6 44.8 1.0 CA H:GLY186 4.7 39.2 1.0 NZ H:LYS162 4.8 68.8 1.0 CE H:LYS162 4.8 54.8 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Staphylococcus Aureus Cystathionine Gamma-Lyase, Holoenzyme with High Hepes


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 Staphylococcus Aureus Cystathionine Gamma-Lyase, Holoenzyme with High Hepes within 5.0Å range: probe atom residue distance (Å) B Occ H:Na404 b:67.0 occ:1.00 O H:HIS9 2.6 53.6 1.0 O H:HOH629 2.7 51.7 1.0 O H:GLY11 2.8 44.9 1.0 O H:HOH569 2.9 50.6 1.0 C H:HIS9 3.4 48.6 1.0 CA H:HIS9 3.8 46.4 1.0 C H:GLY11 4.0 47.9 1.0 N H:GLY10 4.4 43.8 1.0 C H:GLY10 4.4 47.5 1.0 CB H:HIS9 4.5 41.9 1.0 O H:GLY10 4.6 49.1 1.0 N H:GLY11 4.7 47.2 1.0 OG1 H:THR13 4.7 52.5 1.0 N H:THR13 4.7 47.3 1.0 CA H:GLY10 4.7 44.3 1.0 O H:ILE8 4.8 41.8 1.0 CA H:HIS12 4.8 49.4 1.0 N H:HIS12 4.9 46.4 1.0 CA H:GLY11 5.0 44.2 1.0

K.Shatalin, A.Nuthanakanti, A.Kaushik, D.Shishov, A.Peselis, I.Shamovsky, B.Pani, M.Lechpammer, N.Vasilyev, E.Shatalina, D.Rebatchouk, A.Mironov, P.Fedichev, A.Serganov, E.Nudler. Inhibitors of Bacterial H 2 S Biogenesis Targeting Antibiotic Resistance and Tolerance. Science V. 372 1169 2021.
ISSN: ESSN 1095-9203
PubMed: 34112687
DOI: 10.1126/SCIENCE.ABD8377