Calcium in PDB 8r1b: Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PAO1 in Complex with 6466

The structure of Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PAO1 in Complex with 6466, PDB code: 8r1b was solved by D.Kolling, J.Koehnke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.99 / 1.31
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.372, 89.982, 40.826, 90, 114.09, 90
R / Rfree (%)	14.5 / 16.7

The structure of Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PAO1 in Complex with 6466 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PAO1 in Complex with 6466 (pdb code 8r1b). 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 Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PAO1 in Complex with 6466, PDB code: 8r1b:

Calcium binding site 1 out of 1 in the Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PAO1 in Complex with 6466


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PAO1 in Complex with 6466 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:12.5 occ:1.00 O A:LEU185 2.3 13.8 1.0 OE1 A:GLU175 2.4 19.0 1.0 OE2 A:GLU172 2.4 16.8 1.0 OD2 A:ASP136 2.4 18.6 1.0 OD1 A:ASP183 2.4 11.5 1.0 O A:HOH546 2.4 16.9 1.0 CD A:GLU175 3.2 27.4 1.0 CD A:GLU172 3.2 14.2 1.0 H A:LEU185 3.3 14.0 1.0 OE1 A:GLU172 3.4 13.7 1.0 OE2 A:GLU175 3.4 26.9 1.0 CG A:ASP183 3.4 11.9 1.0 C A:LEU185 3.5 11.1 1.0 CG A:ASP136 3.5 20.7 1.0 HB3 A:ASP136 3.7 17.9 1.0 H A:ASP183 3.8 13.4 1.0 OD2 A:ASP183 3.8 14.7 1.0 HA A:ILE186 3.9 15.7 1.0 N A:LEU185 4.0 11.7 1.0 HB2 A:LEU185 4.0 13.9 1.0 HD13 A:ILE186 4.1 36.4 1.0 CB A:ASP136 4.1 15.0 1.0 H A:PHE184 4.2 12.1 1.0 CA A:LEU185 4.2 10.5 1.0 H A:GLY187 4.3 20.1 1.0 HB2 A:ASP136 4.3 17.9 1.0 O A:HOH539 4.4 28.3 1.0 N A:ILE186 4.4 11.2 1.0 O A:HOH544 4.5 17.8 1.0 HB3 A:TYR188 4.5 15.5 1.0 HA A:GLU172 4.5 12.0 1.0 OD1 A:ASP136 4.5 30.1 1.0 N A:PHE184 4.6 10.1 1.0 CA A:ILE186 4.6 13.1 1.0 N A:ASP183 4.6 11.2 1.0 HB2 A:GLU175 4.6 18.3 1.0 CG A:GLU175 4.6 19.4 1.0 HB2 A:ASN182 4.6 13.0 1.0 CG A:GLU172 4.6 11.4 1.0 H A:TYR188 4.7 14.7 1.0 CB A:LEU185 4.7 11.6 1.0 CB A:ASP183 4.8 11.2 1.0 HG2 A:GLU172 4.8 13.6 1.0 HB3 A:GLU175 4.9 18.3 1.0 N A:GLY187 4.9 16.8 1.0 C A:PHE184 5.0 11.7 1.0 CB A:GLU175 5.0 15.2 1.0 HA A:PHE184 5.0 11.7 1.0

D.Kolling, J.Koehnke. Dipeptidic Phosphonates: Potent Inhibitors of Pseudomonas Aeruginosa Elastase B Showing Efficacy in A Murine Keratitis Model Chemrxiv 2024.
ISSN: ISSN 2573-2293
DOI: 10.26434/CHEMRXIV-2024-3MTXB