Chlorine in PDB 9b02: Nnha C357A Catalytic Mutant in Tris Buffer

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

The structure of Nnha C357A Catalytic Mutant in Tris Buffer, PDB code: 9b02 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)	40.30 / 1.97
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	206.091, 206.091, 69.31, 90, 90, 120
R / Rfree (%)	16.5 / 19.8

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

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Nnha C357A Catalytic Mutant in Tris Buffer (pdb code 9b02). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Nnha C357A Catalytic Mutant in Tris Buffer, PDB code: 9b02:

Chlorine binding site 1 out of 1 in the Nnha C357A Catalytic Mutant in Tris Buffer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Nnha C357A Catalytic Mutant in Tris Buffer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:36.0 occ:0.90 OG A:SER29 3.1 22.2 1.0 CB A:SER29 3.8 21.9 1.0 CB A:TYR31 4.0 18.1 1.0 CD2 A:TYR31 4.0 16.5 1.0 CG A:GLU32 4.3 25.1 1.0 CG A:TYR31 4.4 17.0 1.0 CD A:GLU32 4.6 28.5 1.0 N A:GLU32 4.7 16.7 1.0 OE2 A:GLU32 4.9 31.1 1.0 O A:HOH862 5.0 43.8 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