Sodium in PDB 7mda: Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1

Enzymatic activity of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1

All present enzymatic activity of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1:
2.5.1.48; 4.4.1.1; 4.4.1.8;

Protein crystallography data

The structure of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1, PDB code: 7mda 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) 29.95 / 2.24
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 105.227, 105.227, 287.668, 90, 90, 90
R / Rfree (%) 18.4 / 21.1

Other elements in 7mda:

The structure of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1 also contains other interesting chemical elements:

Bromine (Br) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1 (pdb code 7mda). 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 Y103A Mutant Co-Crystallized with NL1, PDB code: 7mda:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 7mda

Go back to Sodium Binding Sites List in 7mda
Sodium binding site 1 out of 2 in the Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1


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 Y103A Mutant Co-Crystallized with NL1 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Na403

b:76.8
occ:1.00
O H:HOH534 2.8 63.8 1.0
O H:HOH514 2.9 56.1 1.0
O H:HOH552 4.2 59.2 1.0
O H:GLY186 4.5 57.9 1.0
O H:HOH518 4.6 49.8 1.0
CA H:GLY186 4.7 52.9 1.0
O H:ILE187 4.7 54.0 1.0
C H:GLY186 4.7 58.0 1.0

Sodium binding site 2 out of 2 in 7mda

Go back to Sodium Binding Sites List in 7mda
Sodium binding site 2 out of 2 in the Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1


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 Y103A Mutant Co-Crystallized with NL1 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Na404

b:71.1
occ:1.00
O H:GLN290 2.9 52.9 1.0
N H:ASN181 2.9 52.7 1.0
CA H:GLN180 3.7 54.2 1.0
C H:GLN180 3.8 56.8 1.0
CA H:ASN181 3.8 50.4 1.0
O H:ASN181 3.9 54.2 1.0
C H:GLN290 3.9 57.0 1.0
CB H:ASN181 4.0 50.6 1.0
C H:ASN181 4.1 57.2 1.0
CD1 H:LEU185 4.1 59.0 1.0
CG H:GLN180 4.4 51.7 1.0
OD1 H:ASN181 4.4 54.0 1.0
O H:TYR179 4.5 56.9 1.0
CG H:LEU185 4.6 59.7 1.0
CG H:ASN181 4.6 54.7 1.0
CB H:GLN180 4.6 50.5 1.0
N H:GLN180 4.6 53.4 1.0
CA H:GLN290 4.7 58.6 1.0
N H:ALA291 4.8 57.8 1.0
CA H:ALA291 4.8 53.4 1.0
C H:TYR179 4.9 57.2 1.0
O H:GLN180 5.0 54.0 1.0

Reference:

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
Page generated: Tue Oct 8 17:57:18 2024

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