Calcium in PDB 3das: Structure of the Pqq-Bound Form of Aldose Sugar Dehydrogenase (Adh) From Streptomyces Coelicolor

The structure of Structure of the Pqq-Bound Form of Aldose Sugar Dehydrogenase (Adh) From Streptomyces Coelicolor, PDB code: 3das was solved by S.M.Southall, J.J.Doel, A.Oubrie, D.J.Richardson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.91 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.033, 41.260, 85.931, 90.00, 93.58, 90.00
R / Rfree (%)	13.2 / 15.9

The binding sites of Calcium atom in the Structure of the Pqq-Bound Form of Aldose Sugar Dehydrogenase (Adh) From Streptomyces Coelicolor (pdb code 3das). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of the Pqq-Bound Form of Aldose Sugar Dehydrogenase (Adh) From Streptomyces Coelicolor, PDB code: 3das:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the Pqq-Bound Form of Aldose Sugar Dehydrogenase (Adh) From Streptomyces Coelicolor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Pqq-Bound Form of Aldose Sugar Dehydrogenase (Adh) From Streptomyces Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca350 b:4.3 occ:1.00 O A:TYR237 2.4 4.6 1.0 O A:HOH4363 2.4 6.2 1.0 O A:HOH4375 2.4 5.3 1.0 O A:HOH4343 2.4 5.6 1.0 O A:HOH4344 2.4 5.0 1.0 OE2 A:GLU227 2.5 6.0 1.0 OE1 A:GLU227 2.5 4.5 1.0 CD A:GLU227 2.8 4.0 1.0 C A:TYR237 3.5 4.5 1.0 CB A:TYR237 4.2 4.2 1.0 O A:HOH4359 4.2 6.6 1.0 O A:HOH4346 4.3 5.8 1.0 CG A:GLU227 4.3 3.6 1.0 CA A:TYR237 4.3 4.5 1.0 N A:GLY238 4.5 4.5 1.0 N A:GLY244 4.5 6.8 1.0 O A:HOH4460 4.5 9.0 1.0 OE2 A:GLU219 4.5 3.9 1.0 ND2 A:ASN229 4.6 3.8 1.0 OD1 A:ASN229 4.6 4.8 1.0 O A:ALA242 4.6 5.7 1.0 O A:HIS252 4.6 6.0 1.0 N A:TRP239 4.7 5.0 1.0 O A:GLY200 4.7 4.4 1.0 CA A:GLY238 4.7 4.7 1.0 O A:GLY244 4.7 7.1 1.0 CG A:PRO254 4.8 7.3 1.0 CD A:PRO254 4.9 6.1 1.0 C A:GLY238 5.0 5.0 1.0

Calcium binding site 2 out of 2 in the Structure of the Pqq-Bound Form of Aldose Sugar Dehydrogenase (Adh) From Streptomyces Coelicolor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Pqq-Bound Form of Aldose Sugar Dehydrogenase (Adh) From Streptomyces Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca351 b:4.8 occ:1.00 O A:GLY221 2.4 5.4 1.0 O A:HOH4348 2.4 7.7 1.0 N6 A:PQQ4331 2.4 4.2 1.0 O5 A:PQQ4331 2.5 4.4 1.0 O7A A:PQQ4331 2.5 5.8 1.0 O A:GLN222 2.5 6.0 1.0 O A:HOH4350 2.5 3.9 1.0 C5 A:PQQ4331 3.2 4.3 1.0 C6A A:PQQ4331 3.3 4.0 1.0 C7X A:PQQ4331 3.3 4.8 1.0 C7 A:PQQ4331 3.3 4.7 1.0 C A:GLN222 3.5 6.2 1.0 C A:GLY221 3.5 5.4 1.0 CA A:GLN222 3.8 6.1 0.9 CA A:GLN222 3.8 5.8 0.1 NH2 A:ARG202 4.0 6.6 1.0 N A:GLN222 4.1 5.0 1.0 NH1 A:ARG202 4.1 5.1 1.0 CG2 A:THR260 4.2 6.4 1.0 CZ A:ARG202 4.3 5.5 1.0 O A:HOH4473 4.4 14.1 1.0 O A:HOH4589 4.4 24.6 1.0 O7B A:PQQ4331 4.5 7.7 1.0 O A:HOH4388 4.5 11.1 1.0 CB A:THR260 4.6 6.7 1.0 N A:GLY221 4.6 4.0 1.0 CA A:GLY221 4.7 4.5 1.0 OD1 A:ASP226 4.7 4.0 1.0 C8 A:PQQ4331 4.7 3.8 1.0 C4 A:PQQ4331 4.7 4.3 1.0 N A:ASP223 4.7 6.4 1.0 C9A A:PQQ4331 4.7 3.9 1.0 OG A:SER264 4.7 4.7 1.0 O A:HOH4512 4.7 18.9 0.9 CB A:PHE220 4.7 3.8 1.0 OE1 A:GLN222 5.0 7.0 0.1

S.M.Southall, J.J.Doel, A.Oubrie, D.J.Richardson. Structural and Enzymatic Characterization of A Thermostable Pqq-Dependent Soluble Aldose Sugar Dehydrogenase To Be Published.