Calcium in PDB 8cr3: Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PAO1

The structure of Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PAO1, PDB code: 8cr3 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)	28.59 / 1.12
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.542, 89.875, 41.34, 90, 113.96, 90
R / Rfree (%)	16.2 / 17

The structure of Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PAO1 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 (pdb code 8cr3). 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, PDB code: 8cr3:

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:9.8 occ:1.00 O A:LEU185 2.3 10.4 1.0 OE2 A:GLU172 2.4 11.7 1.0 OE2 A:GLU175 2.4 13.7 1.0 O A:HOH558 2.4 11.6 1.0 OD2 A:ASP136 2.4 11.3 1.0 OD1 A:ASP183 2.4 9.1 1.0 OE1 A:GLU175 2.8 13.6 1.0 CD A:GLU175 3.0 12.8 1.0 H A:LEU185 3.3 10.1 1.0 CD A:GLU172 3.3 8.7 1.0 CG A:ASP183 3.4 8.7 1.0 C A:LEU185 3.4 8.5 1.0 CG A:ASP136 3.5 9.8 1.0 OE1 A:GLU172 3.6 9.6 1.0 HB3 A:ASP136 3.6 11.5 1.0 H A:ASP183 3.7 10.2 1.0 HA A:ILE186 3.8 11.1 1.0 OD2 A:ASP183 3.8 11.6 1.0 N A:LEU185 3.9 8.4 1.0 HB2 A:LEU185 4.0 10.9 1.0 CB A:ASP136 4.1 9.6 1.0 O A:HOH567 4.1 15.4 1.0 HD13 A:ILE186 4.1 18.1 1.0 H A:PHE184 4.2 9.8 1.0 HB2 A:ASP136 4.2 11.5 1.0 CA A:LEU185 4.2 8.5 1.0 H A:GLY187 4.3 11.4 1.0 O A:HOH666 4.4 10.9 1.0 N A:ILE186 4.4 8.6 1.0 HB3 A:TYR188 4.4 11.2 1.0 CG A:GLU175 4.5 12.3 1.0 CA A:ILE186 4.5 9.2 1.0 N A:PHE184 4.6 8.2 1.0 N A:ASP183 4.6 8.5 1.0 H A:TYR188 4.6 11.0 1.0 OD1 A:ASP136 4.6 13.8 1.0 HA A:GLU172 4.6 9.3 1.0 CB A:LEU185 4.6 9.1 1.0 HB2 A:GLU175 4.6 13.2 1.0 HB2 A:ASN182 4.6 11.1 1.0 CG A:GLU172 4.7 8.8 1.0 CB A:ASP183 4.8 8.8 1.0 HG2 A:GLU172 4.8 10.5 1.0 HG3 A:GLU175 4.9 14.8 1.0 N A:GLY187 4.9 9.5 1.0 O A:HOH605 4.9 25.9 1.0 HG2 A:GLU175 4.9 14.8 1.0 C A:PHE184 4.9 8.9 1.0 CA A:ASP183 5.0 8.4 1.0 HA A:PHE184 5.0 10.2 1.0

D.Kolling, J.Haupenthal, A.K.H.Hirsch, J.Kohnke. Facile Production of the Pseudomonas Aeruginosa Virulence Factor Lasb in E. Coli For Structure-Based Drug Design. Chembiochem 00185 2023.
ISSN: ESSN 1439-7633
PubMed: 37195753
DOI: 10.1002/CBIC.202300185