Calcium in PDB 8cr7: Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PA7

The structure of Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PA7, PDB code: 8cr7 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)	43.11 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.156, 64.274, 73.401, 90, 108.1, 90
R / Rfree (%)	16.4 / 18.9

The structure of Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PA7 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PA7 (pdb code 8cr7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PA7, PDB code: 8cr7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PA7


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 PA7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:17.7 occ:1.00 O A:LEU185 2.2 20.2 1.0 OE2 A:GLU172 2.4 17.1 1.0 OD1 A:ASP183 2.4 16.9 1.0 O A:HOH566 2.4 24.5 1.0 OE2 A:GLU175 2.5 21.0 1.0 OD2 A:ASP136 2.6 20.8 1.0 OE1 A:GLU175 2.6 19.2 1.0 CD A:GLU175 2.9 22.1 1.0 CD A:GLU172 3.3 16.8 1.0 OE1 A:GLU172 3.4 16.2 1.0 H A:LEU185 3.4 19.0 1.0 CG A:ASP183 3.4 18.9 1.0 C A:LEU185 3.5 17.7 1.0 CG A:ASP136 3.6 22.8 1.0 HB3 A:ASP136 3.6 21.1 1.0 OD2 A:ASP183 3.7 20.8 1.0 HA A:ILE186 3.8 17.1 1.0 H A:ASP183 3.9 20.0 1.0 N A:LEU185 4.0 15.8 1.0 HB2 A:LEU185 4.1 18.0 1.0 H A:GLY187 4.1 19.8 1.0 CB A:ASP136 4.1 17.6 1.0 HB2 A:ASP136 4.3 21.1 1.0 O A:HOH628 4.3 20.7 1.0 CA A:LEU185 4.3 17.1 1.0 H A:PHE184 4.3 18.1 1.0 O A:HOH661 4.3 16.9 1.0 O A:HOH699 4.3 33.2 1.0 HA A:GLU172 4.4 16.9 1.0 CG A:GLU175 4.4 20.4 1.0 N A:ILE186 4.4 14.5 1.0 CA A:ILE186 4.5 14.3 1.0 OD1 A:ASP136 4.6 20.6 1.0 HG3 A:GLU175 4.6 24.5 1.0 H A:TYR188 4.6 17.0 1.0 N A:PHE184 4.6 15.1 1.0 HB2 A:ASN182 4.6 21.6 1.0 CG A:GLU172 4.7 16.8 1.0 N A:ASP183 4.7 16.6 1.0 CB A:LEU185 4.7 15.0 1.0 N A:GLY187 4.8 16.5 1.0 O A:HOH552 4.8 18.2 1.0 CB A:ASP183 4.8 17.6 1.0 HG2 A:GLU172 4.8 20.1 1.0 HG2 A:GLU175 4.8 24.5 1.0 HG13 A:ILE186 4.9 26.0 1.0 HB3 A:TYR188 5.0 21.2 1.0 HB2 A:GLU175 5.0 20.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PA7


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Recombinant Lasb From Pseudomonas Aeruginosa PA7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:15.1 occ:1.00 O B:LEU185 2.3 19.5 1.0 OE2 B:GLU172 2.4 18.2 1.0 OD1 B:ASP183 2.4 15.3 1.0 O B:HOH526 2.4 24.2 1.0 OE2 B:GLU175 2.4 18.7 1.0 OD2 B:ASP136 2.5 17.8 1.0 OE1 B:GLU175 2.6 20.8 1.0 CD B:GLU175 2.8 19.9 1.0 CD B:GLU172 3.2 17.1 1.0 OE1 B:GLU172 3.3 16.9 1.0 CG B:ASP183 3.4 17.1 1.0 H B:LEU185 3.5 18.2 1.0 C B:LEU185 3.5 17.3 1.0 CG B:ASP136 3.5 19.9 1.0 HB3 B:ASP136 3.6 19.9 1.0 OD2 B:ASP183 3.7 16.2 1.0 HA B:ILE186 3.8 19.5 1.0 H B:ASP183 3.8 17.4 1.0 CB B:ASP136 4.0 16.6 1.0 H B:GLY187 4.0 16.9 1.0 N B:LEU185 4.1 15.2 1.0 HB2 B:LEU185 4.1 18.7 1.0 HB2 B:ASP136 4.1 19.9 1.0 HD13 B:ILE186 4.2 33.0 1.0 O B:HOH639 4.2 20.6 1.0 H B:PHE184 4.3 16.7 1.0 CG B:GLU175 4.3 17.0 1.0 CA B:LEU185 4.3 16.8 1.0 HA B:GLU172 4.4 17.5 1.0 N B:ILE186 4.4 13.8 1.0 OD1 B:ASP136 4.5 20.6 1.0 CA B:ILE186 4.5 16.3 1.0 H B:TYR188 4.5 18.5 1.0 HG3 B:GLU175 4.5 20.4 1.0 HB2 B:ASN182 4.6 18.8 1.0 N B:ASP183 4.6 14.5 1.0 N B:PHE184 4.6 13.9 1.0 N B:GLY187 4.7 14.1 1.0 CG B:GLU172 4.7 14.0 1.0 CB B:LEU185 4.7 15.6 1.0 O B:HOH568 4.7 22.0 1.0 O B:HOH674 4.8 46.7 1.0 CB B:ASP183 4.8 15.2 1.0 HG2 B:GLU175 4.8 20.4 1.0 HG2 B:GLU172 4.9 16.8 1.0 HB3 B:TYR188 4.9 20.3 1.0 HB2 B:GLU175 5.0 20.9 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