Sodium in PDB 7mcu: Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase, Holoenzyme with Bound NL2

All present enzymatic activity of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase, Holoenzyme with Bound NL2:
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 Bound NL2, PDB code: 7mcu 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)	28.94 / 2.40
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	104.89, 104.89, 288.27, 90, 90, 90
R / Rfree (%)	15.7 / 19.4

The structure of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase, Holoenzyme with Bound NL2 also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Sodium atom in the Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase, Holoenzyme with Bound NL2 (pdb code 7mcu). 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 Bound NL2, PDB code: 7mcu:
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 Bound NL2


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 Bound NL2 within 5.0Å range: probe atom residue distance (Å) B Occ H:Na404 b:59.5 occ:1.00 O H:HOH539 2.6 36.3 1.0 O H:HOH725 2.8 35.0 1.0 O H:HOH508 2.8 34.0 1.0 O H:HOH692 2.9 52.2 1.0 O H:HOH724 2.9 46.9 1.0 O H:HOH594 3.2 45.5 1.0 O H:HOH588 3.6 30.5 1.0 O H:HOH599 4.2 37.9 1.0 O H:ILE187 4.4 32.3 1.0 OD1 H:ASP188 4.5 31.6 1.0 O H:GLY186 4.7 37.0 1.0 CB H:SER212 4.8 29.4 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase, Holoenzyme with Bound NL2


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 Bound NL2 within 5.0Å range: probe atom residue distance (Å) B Occ H:Na405 b:52.1 occ:1.00 O H:HOH556 2.4 39.7 1.0 O H:HOH644 2.5 47.4 1.0 O H:HOH530 2.6 40.3 1.0 O H:HIS9 2.6 39.3 1.0 O H:GLY11 2.7 41.3 1.0 O H:HOH607 2.8 41.0 1.0 C H:HIS9 3.3 35.7 1.0 O H:HOH641 3.5 45.4 1.0 CA H:HIS9 3.7 39.0 1.0 C H:GLY11 3.7 43.5 1.0 OG1 H:THR13 4.1 41.3 1.0 O H:GLY10 4.1 39.0 1.0 C H:GLY10 4.1 39.1 1.0 N H:GLY10 4.2 34.8 1.0 N H:THR13 4.3 42.4 1.0 O H:ILE8 4.3 32.8 1.0 O H:HOH623 4.3 43.6 1.0 N H:GLY11 4.5 44.2 1.0 CA H:HIS12 4.5 38.6 1.0 N H:HIS12 4.6 39.5 1.0 CA H:GLY10 4.6 38.1 1.0 CB H:HIS9 4.6 32.7 1.0 CA H:GLY11 4.7 41.1 1.0 O H:HOH551 4.8 50.9 1.0 N H:HIS9 4.8 35.6 1.0 C H:HIS12 4.9 40.2 1.0 O H:HOH721 5.0 44.0 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