Chlorine in PDB 9hgo: Crystal Structure of the Coxiella Burnetii E110Q Mutant 2- Methylisocitrate Lyase

All present enzymatic activity of Crystal Structure of the Coxiella Burnetii E110Q Mutant 2- Methylisocitrate Lyase:
4.1.3.30;

The structure of Crystal Structure of the Coxiella Burnetii E110Q Mutant 2- Methylisocitrate Lyase, PDB code: 9hgo 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)	61.48 / 1.82
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.18, 74.18, 184.45, 90, 90, 120
R / Rfree (%)	23.2 / 29.9

The binding sites of Chlorine atom in the Crystal Structure of the Coxiella Burnetii E110Q Mutant 2- Methylisocitrate Lyase (pdb code 9hgo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Coxiella Burnetii E110Q Mutant 2- Methylisocitrate Lyase, PDB code: 9hgo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Coxiella Burnetii E110Q 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 E110Q Mutant 2- Methylisocitrate Lyase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:72.8 occ:1.00 NZ A:LYS239 3.1 47.9 1.0 CE A:LYS239 3.8 51.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Coxiella Burnetii E110Q Mutant 2- Methylisocitrate Lyase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Coxiella Burnetii E110Q Mutant 2- Methylisocitrate Lyase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:67.6 occ:1.00 O B:HOH457 3.0 60.4 1.0 N B:ASP54 3.9 46.6 1.0 ND2 B:ASN48 3.9 30.3 1.0 CB B:ASP54 4.3 58.0 1.0 O B:HOH434 4.3 41.9 1.0 CA B:PRO53 4.4 56.6 1.0 OD1 B:ASN48 4.4 35.1 1.0 CG B:ASN48 4.6 39.4 1.0 C B:PRO53 4.7 49.1 1.0 CB B:PRO53 4.7 55.9 1.0 CA B:ASP54 4.7 52.8 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