Calcium 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:

Chlorine	(Cl)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Calcium atom in the Lasb, Hydroxymate Inhibitor Complex (pdb code 6fzx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Lasb, Hydroxymate Inhibitor Complex, PDB code: 6fzx:

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Lasb, Hydroxymate Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:18.4 occ:1.00 OE1 A:GLU172 2.4 17.0 1.0 OE1 A:GLU175 2.5 30.2 1.0 O A:LEU185 2.5 21.9 1.0 O A:HOH586 2.5 32.3 1.0 OD1 A:ASP183 2.7 17.5 1.0 OD2 A:ASP136 2.8 16.4 1.0 OE2 A:GLU175 3.1 29.0 1.0 CD A:GLU175 3.1 26.9 1.0 CD A:GLU172 3.4 15.0 1.0 C A:LEU185 3.5 19.7 1.0 OE2 A:GLU172 3.6 14.6 1.0 CG A:ASP136 3.7 17.9 1.0 CG A:ASP183 3.8 18.9 1.0 CB A:ASP136 3.9 15.2 1.0 N A:LEU185 4.0 16.0 1.0 OD2 A:ASP183 4.1 18.9 1.0 O A:HOH597 4.2 16.6 1.0 O A:HOH575 4.3 9.6 1.0 N A:ILE186 4.3 18.6 1.0 CA A:LEU185 4.3 15.3 1.0 CA A:ILE186 4.4 15.9 1.0 N A:GLY187 4.5 13.4 1.0 CG A:GLU175 4.5 22.4 1.0 N A:PHE184 4.6 15.6 1.0 CG A:GLU172 4.8 12.4 1.0 O A:HOH605 4.8 14.6 1.0 OD1 A:ASP136 4.8 17.4 1.0 N A:ASP183 4.9 14.1 1.0 C A:PHE184 4.9 14.5 1.0 C A:ILE186 4.9 14.3 1.0 CB A:LEU185 4.9 17.3 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