Sodium in PDB 5tw8: Crystal Structure of Wild-Type S. Aureus Penicillin Binding Protein 4 (PBP4) in Complex with Ceftaroline

The structure of Crystal Structure of Wild-Type S. Aureus Penicillin Binding Protein 4 (PBP4) in Complex with Ceftaroline, PDB code: 5tw8 was solved by J.A.N.Alexander, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.08 / 1.72
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.415, 92.165, 79.153, 90.00, 99.23, 90.00
R / Rfree (%)	18.6 / 21.5

The structure of Crystal Structure of Wild-Type S. Aureus Penicillin Binding Protein 4 (PBP4) in Complex with Ceftaroline also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Sodium atom in the Crystal Structure of Wild-Type S. Aureus Penicillin Binding Protein 4 (PBP4) in Complex with Ceftaroline (pdb code 5tw8). 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 Wild-Type S. Aureus Penicillin Binding Protein 4 (PBP4) in Complex with Ceftaroline, PDB code: 5tw8:

Sodium binding site 1 out of 1 in the Crystal Structure of Wild-Type S. Aureus Penicillin Binding Protein 4 (PBP4) in Complex with Ceftaroline


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 Wild-Type S. Aureus Penicillin Binding Protein 4 (PBP4) in Complex with Ceftaroline within 5.0Å range: probe atom residue distance (Å) B Occ B:Na403 b:31.7 occ:1.00 O B:HOH510 2.1 34.6 1.0 OD1 B:ASP313 2.4 35.3 1.0 O B:HOH699 2.5 48.1 1.0 CG B:ASP313 3.3 37.4 1.0 OD2 B:ASP313 3.6 36.3 1.0 O B:HOH666 3.8 25.0 1.0 OE1 B:GLU309 3.9 37.7 1.0 O B:GLU309 4.5 17.9 1.0 NH1 B:ARG276 4.5 24.0 1.0 CB B:ASP313 4.7 27.0 1.0 N B:ASP313 4.7 18.9 1.0 CB B:PHE312 4.8 20.1 1.0 CA B:ASP313 4.8 20.6 1.0 C B:PHE312 4.9 21.3 1.0 O B:PHE312 5.0 24.3 1.0

J.A.N.Alexander, S.S.Chatterjee, S.M.Hamilton, L.D.Eltis, H.F.Chambers, N.C.J.Strynadka. Structural and Kinetic Analysis of Penicillin-Binding Protein 4 (PBP4)-Mediated Antibiotic Resistance Instaphylococcus Aureus. J. Biol. Chem. 2018.
ISSN: ESSN 1083-351X
PubMed: 30366985
DOI: 10.1074/JBC.RA118.004952