Chlorine in PDB 9hhs: Crystal Structure of the Coxiella Burnetii R152Q Mutant 2- Methylisocitrate Lyase

All present enzymatic activity of Crystal Structure of the Coxiella Burnetii R152Q Mutant 2- Methylisocitrate Lyase:
4.1.3.30;

The structure of Crystal Structure of the Coxiella Burnetii R152Q Mutant 2- Methylisocitrate Lyase, PDB code: 9hhs was solved by W.Stuart, M.Isupov, N.J.Harmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.58 / 1.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.94, 73.94, 184.23, 90, 90, 120
R / Rfree (%)	21 / 25.8

The binding sites of Chlorine atom in the Crystal Structure of the Coxiella Burnetii R152Q Mutant 2- Methylisocitrate Lyase (pdb code 9hhs). 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 Crystal Structure of the Coxiella Burnetii R152Q Mutant 2- Methylisocitrate Lyase, PDB code: 9hhs:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Coxiella Burnetii R152Q Mutant 2- Methylisocitrate Lyase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Coxiella Burnetii R152Q Mutant 2- Methylisocitrate Lyase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:75.3 occ:1.00 O B:HOH503 3.3 60.2 1.0 N B:ASP54 3.5 37.7 1.0 ND2 B:ASN48 3.7 35.5 1.0 CB B:ASP54 3.9 47.9 1.0 CA B:PRO53 4.2 43.2 1.0 OD1 B:ASN48 4.3 36.0 1.0 CA B:ASP54 4.3 41.9 1.0 C B:PRO53 4.4 45.0 1.0 CG B:ASN48 4.4 45.9 1.0 CB B:PRO53 4.5 37.2 1.0

W.S.Stuart, C.H.Jenkins, P.M.Ireland, M.N.Isupov, I.H.Norville, N.J.Harmer. Structure and Catalytic Mechanism of Methylisocitrate Lyase, A Potential Drug Target Against Coxiella Burnetii. J.Biol.Chem. V. 301 08517 2025.
ISSN: ESSN 1083-351X
PubMed: 40250561
DOI: 10.1016/J.JBC.2025.108517