Cadmium in PDB 2q88: Crystal Structure of Ehub in Complex with Ectoine

The structure of Crystal Structure of Ehub in Complex with Ectoine, PDB code: 2q88 was solved by N.Hanekop, M.Hoeing, L.Sohn-Bosser, M.Jebbar, L.Schmitt, E.Bremer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.365, 57.365, 161.883, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 24.9

The binding sites of Cadmium atom in the Crystal Structure of Ehub in Complex with Ectoine (pdb code 2q88). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the Crystal Structure of Ehub in Complex with Ectoine, PDB code: 2q88:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in the Crystal Structure of Ehub in Complex with Ectoine


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of Ehub in Complex with Ectoine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd601 b:30.8 occ:0.50 O A:HOH719 1.5 16.8 1.0 O A:HOH648 2.3 32.9 1.0 O A:HOH630 2.5 25.8 1.0 OE2 A:GLU250 2.6 39.7 1.0 OE1 A:GLU250 2.8 41.9 1.0 CD A:GLU250 2.9 37.7 1.0 CG A:GLU250 4.3 34.0 1.0 CB A:GLU250 4.9 31.2 1.0

Cadmium binding site 2 out of 4 in the Crystal Structure of Ehub in Complex with Ectoine


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of Ehub in Complex with Ectoine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd602 b:33.5 occ:0.60 O A:HOH726 1.8 38.6 1.0 O A:HOH673 2.1 30.6 1.0 O A:HOH669 2.4 38.6 1.0 O A:HOH608 2.5 21.6 1.0 CG A:GLU226 4.3 29.6 1.0 OE2 A:GLU226 4.7 38.2 1.0 CD A:GLU226 5.0 34.7 1.0

Cadmium binding site 3 out of 4 in the Crystal Structure of Ehub in Complex with Ectoine


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Crystal Structure of Ehub in Complex with Ectoine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd603 b:33.5 occ:0.60 O A:HOH609 1.6 15.9 1.0 OD2 A:ASP215 2.2 24.3 1.0 OE1 A:GLU211 2.3 41.2 1.0 O A:HOH679 2.4 40.8 1.0 O A:HOH725 2.5 35.9 1.0 CD A:GLU211 3.2 38.8 1.0 CG A:ASP215 3.3 25.3 1.0 OE2 A:GLU211 3.3 40.8 1.0 OD1 A:ASP215 3.8 25.1 1.0 CB A:ASP215 4.6 23.6 1.0 CG A:GLU211 4.6 32.9 1.0 O A:GLU211 4.7 27.0 1.0 C A:GLU211 4.9 26.7 1.0 CA A:ALA212 5.0 25.3 1.0

Cadmium binding site 4 out of 4 in the Crystal Structure of Ehub in Complex with Ectoine


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Crystal Structure of Ehub in Complex with Ectoine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd604 b:27.4 occ:0.70 O A:HOH605 2.4 22.4 1.0 NE2 A:HIS72 2.5 32.5 1.0 OG A:SER56 2.6 26.9 1.0 CD2 A:HIS72 3.2 32.0 1.0 CB A:SER56 3.5 25.0 1.0 CE1 A:HIS72 3.6 32.2 1.0 O A:HOH666 4.1 35.9 1.0 O A:HOH704 4.4 37.1 1.0 CG A:HIS72 4.5 30.5 1.0 ND1 A:HIS72 4.6 31.4 1.0 O A:ARG71 4.7 30.4 1.0 CA A:SER56 4.9 24.7 1.0

N.Hanekop, M.Hoing, L.Sohn-Bosser, M.Jebbar, L.Schmitt, E.Bremer. Crystal Structure of the Ligand-Binding Protein Ehub From Sinorhizobium Meliloti Reveals Substrate Recognition of the Compatible Solutes Ectoine and Hydroxyectoine. J.Mol.Biol. V. 374 1237 2007.
ISSN: ISSN 0022-2836
PubMed: 17996893
DOI: 10.1016/J.JMB.2007.09.071