Chlorine in PDB 6fzx: Lasb, Hydroxymate Inhibitor Complex

The structure of Lasb, Hydroxymate Inhibitor Complex, PDB code: 6fzx was solved by J.Koehnke, A.Sikandar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.26 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.727, 52.982, 122.519, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.3

The structure of Lasb, Hydroxymate Inhibitor Complex also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Lasb, Hydroxymate Inhibitor Complex (pdb code 6fzx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Lasb, Hydroxymate Inhibitor Complex, PDB code: 6fzx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Lasb, Hydroxymate Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lasb, Hydroxymate Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:30.1 occ:1.00 CL1 A:EEK401 0.0 30.1 1.0 C02 A:EEK401 1.7 24.0 1.0 C16 A:EEK401 2.7 23.4 1.0 C03 A:EEK401 2.7 23.7 1.0 CL4 A:EEK401 3.1 29.4 1.0 OD2 A:ASP221 3.6 12.3 1.0 CG A:ASP221 3.7 12.0 1.0 OD1 A:ASP221 3.8 13.1 1.0 C15 A:EEK401 4.0 22.1 1.0 C05 A:EEK401 4.0 21.0 1.0 CB A:ASP221 4.4 10.3 1.0 C06 A:EEK401 4.6 21.8 1.0 O A:HOH783 4.9 31.6 1.0 ND1 A:HIS223 5.0 13.1 1.0

Chlorine binding site 2 out of 2 in the Lasb, Hydroxymate Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lasb, Hydroxymate Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:29.4 occ:1.00 CL4 A:EEK401 0.0 29.4 1.0 C03 A:EEK401 1.7 23.7 1.0 C02 A:EEK401 2.7 24.0 1.0 C05 A:EEK401 2.7 21.0 1.0 CL1 A:EEK401 3.1 30.1 1.0 O A:HOH565 3.6 17.1 1.0 NE2 A:HIS224 3.6 12.3 1.0 OD2 A:ASP221 3.7 12.3 1.0 CE1 A:HIS224 3.9 14.4 1.0 C16 A:EEK401 4.0 23.4 1.0 C06 A:EEK401 4.1 21.8 1.0 CB A:HIS223 4.1 14.6 1.0 CD2 A:HIS224 4.4 12.8 1.0 O A:HOH550 4.5 31.3 1.0 C15 A:EEK401 4.5 22.1 1.0 O A:HOH783 4.5 31.6 1.0 CG A:ASP221 4.5 12.0 1.0 CG A:HIS223 4.5 14.3 1.0 ND1 A:HIS223 4.6 13.1 1.0 ND1 A:HIS224 4.8 12.9 1.0

A.M.Kany, A.Sikandar, S.Yahiaoui, J.Haupenthal, I.Walter, M.Empting, J.Kohnke, R.W.Hartmann. Tackling Pseudomonas Aeruginosa Virulence By A Hydroxamic Acid-Based Lasb Inhibitor. Acs Chem. Biol. V. 13 2449 2018.
ISSN: ESSN 1554-8937
PubMed: 30088919
DOI: 10.1021/ACSCHEMBIO.8B00257