Cadmium in PDB 5bxa: Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose

The structure of Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose, PDB code: 5bxa was solved by P.Baker, D.J.Little, P.L.Howell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.91 / 1.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.655, 83.655, 163.366, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 18.7

The structure of Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Cadmium atom in the Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose (pdb code 5bxa). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose, PDB code: 5bxa:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in the Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd501 b:55.4 occ:1.00 O A:HOH607 2.3 38.2 1.0 O A:HOH634 2.3 53.3 1.0 O5 A:MAN508 2.5 84.7 1.0 O6 A:MAN508 2.5 59.0 1.0 OE1 A:GLU276 2.6 20.6 1.0 OE2 A:GLU165 2.6 25.3 1.0 C5 A:MAN508 2.7 84.6 1.0 C6 A:MAN508 2.8 67.0 1.0 O1 A:MAN508 3.0 72.2 1.0 C1 A:MAN508 3.2 78.8 1.0 CD A:GLU165 3.3 33.5 1.0 CD A:GLU276 3.4 21.7 1.0 OE1 A:GLU165 3.4 35.4 1.0 OE2 A:GLU276 3.4 25.9 1.0 C4 A:MAN508 4.2 86.0 1.0 ND1 A:HIS237 4.3 16.1 1.0 CE2 A:TYR239 4.3 20.7 1.0 OH A:TYR239 4.3 23.4 1.0 ND2 A:ASN164 4.5 16.9 1.0 C2 A:MAN508 4.5 91.9 1.0 CG A:GLU165 4.7 15.9 1.0 CZ A:TYR239 4.7 21.7 1.0 CG A:GLU276 4.8 16.7 1.0 CE1 A:HIS237 4.9 15.7 1.0 C3 A:MAN508 4.9 99.3 1.0 O4 A:MAN508 4.9 79.5 1.0

Cadmium binding site 2 out of 4 in the Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd502 b:94.0 occ:1.00 NE2 A:HIS29 2.5 34.6 1.0 OD2 A:ASP375 2.8 76.2 1.0 O A:HOH718 2.9 46.0 1.0 OD1 A:ASP375 3.0 48.8 1.0 CG A:ASP375 3.1 54.5 1.0 CE1 A:HIS29 3.3 54.3 1.0 CD2 A:HIS29 3.6 55.3 1.0 NH1 A:ARG397 4.2 67.0 1.0 CB A:ASP375 4.4 33.6 1.0 ND1 A:HIS29 4.5 60.9 1.0 N A:GLY376 4.6 26.3 1.0 O A:HOH942 4.6 28.6 1.0 CB A:GLU31 4.7 62.3 1.0 N A:GLU31 4.7 53.2 1.0 CG A:HIS29 4.7 62.1 1.0 C A:ASP375 5.0 20.4 1.0 CA A:GLY376 5.0 24.3 1.0

Cadmium binding site 3 out of 4 in the Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd503 b:29.9 occ:1.00 OD1 A:ASP220 2.4 22.7 1.0 NE2 A:HIS224 2.4 28.4 1.0 OD2 A:ASP220 2.6 20.4 1.0 O A:HOH618 2.7 52.9 1.0 CG A:ASP220 2.8 18.3 1.0 CD2 A:HIS224 3.2 25.6 1.0 CE1 A:HIS224 3.5 28.2 1.0 O A:HOH791 4.0 36.3 1.0 CB A:ASP220 4.3 18.5 1.0 CG A:HIS224 4.4 22.6 1.0 NH2 A:ARG216 4.5 38.3 1.0 ND1 A:HIS224 4.5 29.2 1.0 O A:ASP220 4.7 19.2 1.0

Cadmium binding site 4 out of 4 in the Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Structure of Pslg From Pseudomonas Aeruginosa in Complex with Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd504 b:26.7 occ:1.00 NE2 A:HIS256 2.3 21.2 1.0 OD2 A:ASP252 2.4 22.8 1.0 O A:HOH897 2.5 18.7 1.0 O A:HOH887 2.5 29.4 1.0 CE1 A:HIS256 3.3 38.3 1.0 CG A:ASP252 3.3 21.8 1.0 CD2 A:HIS256 3.3 21.1 1.0 OD1 A:ASP252 3.5 22.8 1.0 OD1 A:ASN250 4.1 23.9 1.0 O A:HOH788 4.3 42.9 1.0 ND1 A:HIS256 4.4 30.8 1.0 CG A:HIS256 4.5 17.9 1.0 O A:HOH907 4.6 40.2 1.0 CB A:ASP252 4.7 19.6 1.0 ND2 A:ASN250 4.7 22.2 1.0 CG A:ASN250 4.9 23.7 1.0 O A:HOH830 4.9 49.4 1.0

P.Baker, G.B.Whitfield, P.J.Hill, D.J.Little, M.J.Pestrak, H.Robinson, D.J.Wozniak, P.L.Howell. Characterization of the Pseudomonas Aeruginosa Glycoside Hydrolase Pslg Reveals That Its Levels Are Critical For Psl Polysaccharide Biosynthesis and Biofilm Formation. J.Biol.Chem. V. 290 28374 2015.
ISSN: ESSN 1083-351X
PubMed: 26424791
DOI: 10.1074/JBC.M115.674929