Cadmium in PDB 1w1a: Structure of Bacillus Subtilis Pdaa in Complex with Nag, A Family 4 Carbohydrate Esterase.

The structure of Structure of Bacillus Subtilis Pdaa in Complex with Nag, A Family 4 Carbohydrate Esterase., PDB code: 1w1a was solved by D.E.Blair, D.M.F.Van Aalten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 2.25
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	87.862, 87.862, 120.292, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 25.8

The binding sites of Cadmium atom in the Structure of Bacillus Subtilis Pdaa in Complex with Nag, A Family 4 Carbohydrate Esterase. (pdb code 1w1a). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Structure of Bacillus Subtilis Pdaa in Complex with Nag, A Family 4 Carbohydrate Esterase., PDB code: 1w1a:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Structure of Bacillus Subtilis Pdaa in Complex with Nag, A Family 4 Carbohydrate Esterase.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Structure of Bacillus Subtilis Pdaa in Complex with Nag, A Family 4 Carbohydrate Esterase. within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cd1259 b:58.3 occ:0.50 NE2 1:HIS127 2.6 36.1 1.0 CE1 1:HIS127 3.5 37.6 1.0 CD2 1:HIS127 3.7 36.0 1.0 O 1:HOH2054 4.1 52.7 1.0 CE1 1:PHE126 4.4 37.6 1.0 ND1 1:HIS127 4.7 38.9 1.0 CG 1:HIS127 4.8 38.6 1.0 CD1 1:PHE126 4.8 34.9 1.0

Cadmium binding site 2 out of 2 in the Structure of Bacillus Subtilis Pdaa in Complex with Nag, A Family 4 Carbohydrate Esterase.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Structure of Bacillus Subtilis Pdaa in Complex with Nag, A Family 4 Carbohydrate Esterase. within 5.0Å range: probe atom residue distance (Å) B Occ 2:Cd1259 b:51.2 occ:0.50 NE2 2:HIS127 2.7 40.3 1.0 CE1 2:HIS127 3.6 40.1 1.0 CD2 2:HIS127 3.7 39.1 1.0 CE1 2:PHE126 4.3 32.8 1.0 CD1 2:PHE126 4.7 31.6 1.0 ND1 2:HIS127 4.7 39.5 1.0 CG 2:HIS127 4.9 39.2 1.0

D.E.Blair, D.M.Van Aalten. Structures of Bacillus Subtilis Pdaa, A Family 4 Carbohydrate Esterase, and A Complex with N-Acetyl-Glucosamine. Febs Lett. V. 570 13 2004.
ISSN: ISSN 0014-5793
PubMed: 15251431
DOI: 10.1016/J.FEBSLET.2004.06.013