Sodium in PDB 9b01: Catalytic Mutant C357A Nnha in Ches Buffer

All present enzymatic activity of Catalytic Mutant C357A Nnha in Ches Buffer:
3.5.99.9;

The structure of Catalytic Mutant C357A Nnha in Ches Buffer, PDB code: 9b01 was solved by T.S.Peat, J.Newman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 1.99
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	206.124, 206.124, 68.215, 90, 90, 120
R / Rfree (%)	14.6 / 17.4

The structure of Catalytic Mutant C357A Nnha in Ches Buffer also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Sodium atom in the Catalytic Mutant C357A Nnha in Ches Buffer (pdb code 9b01). 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 Catalytic Mutant C357A Nnha in Ches Buffer, PDB code: 9b01:

Sodium binding site 1 out of 1 in the Catalytic Mutant C357A Nnha in Ches Buffer


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Catalytic Mutant C357A Nnha in Ches Buffer within 5.0Å range: probe atom residue distance (Å) B Occ A:Na401 b:28.8 occ:0.50 O A:HOH816 2.6 14.3 1.0 O A:HOH555 2.6 10.6 1.0 O A:HOH813 3.6 14.3 1.0 CG2 A:VAL189 3.8 10.6 1.0 O A:HOH888 4.1 25.7 1.0 CB A:ALA228 4.7 11.6 1.0 O A:GLN224 4.8 12.6 1.0 O A:HOH586 4.8 12.9 1.0 CG A:GLN224 4.8 14.0 1.0 CB A:VAL189 4.9 10.4 1.0

F.H.Ahmed, J.W.Liu, S.Royan, A.C.Warden, L.Esquirol, G.Pandey, J.Newman, C.Scott, T.S.Peat. Structural Insights Into the Enzymatic Breakdown of Azomycin-Derived Antibiotics By 2-Nitroimdazole Hydrolase (Nnha). Commun Biol V. 7 1676 2024.
ISSN: ESSN 2399-3642
PubMed: 39702827
DOI: 10.1038/S42003-024-07336-6