Calcium in PDB 2e8z: Crystal Structure of Pullulanase Type I From Bacillus Subtilis Str. 168 Complexed with Alpha-Cyclodextrin

All present enzymatic activity of Crystal Structure of Pullulanase Type I From Bacillus Subtilis Str. 168 Complexed with Alpha-Cyclodextrin:
3.2.1.41;

The structure of Crystal Structure of Pullulanase Type I From Bacillus Subtilis Str. 168 Complexed with Alpha-Cyclodextrin, PDB code: 2e8z was solved by B.Mikami, D.Malle, S.Utsumi, H.Iwamoto, Y.Katsuya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.97 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.327, 127.780, 189.274, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.7

The binding sites of Calcium atom in the Crystal Structure of Pullulanase Type I From Bacillus Subtilis Str. 168 Complexed with Alpha-Cyclodextrin (pdb code 2e8z). 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 Pullulanase Type I From Bacillus Subtilis Str. 168 Complexed with Alpha-Cyclodextrin, PDB code: 2e8z:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Pullulanase Type I From Bacillus Subtilis Str. 168 Complexed with Alpha-Cyclodextrin


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 Pullulanase Type I From Bacillus Subtilis Str. 168 Complexed with Alpha-Cyclodextrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca741 b:20.9 occ:1.00 OE2 A:GLU281 2.4 20.1 1.0 O A:PHE276 2.4 16.0 1.0 OD2 A:ASP275 2.4 14.9 1.0 O A:HOH812 2.5 18.7 1.0 O A:HOH825 2.5 16.7 1.0 O A:HOH1270 2.5 26.5 1.0 OE2 A:GLU301 2.6 16.6 1.0 CD A:GLU301 3.3 19.4 1.0 CD A:GLU281 3.4 22.4 1.0 OE1 A:GLU301 3.4 17.8 1.0 CG A:ASP275 3.5 15.9 1.0 C A:PHE276 3.6 16.9 1.0 N A:PHE276 3.8 15.5 1.0 CG A:GLU281 3.8 20.4 1.0 OD1 A:ASP275 3.9 17.2 1.0 O A:HOH808 4.0 12.2 1.0 CA A:PHE276 4.3 16.9 1.0 OE1 A:GLU281 4.4 21.8 1.0 N A:GLY302 4.4 19.9 1.0 O A:VAL279 4.5 21.0 1.0 N A:ALA277 4.6 17.6 1.0 C A:ASP275 4.6 17.2 1.0 CB A:ASP275 4.7 15.6 1.0 CG A:GLU301 4.7 19.1 1.0 CA A:ASP275 4.7 17.4 1.0 OD1 A:ASN188 4.8 24.0 1.0 CA A:ASN188 4.8 19.9 1.0 CD2 A:PHE276 4.8 16.1 1.0 CA A:ALA277 4.8 18.1 1.0 CD1 A:LEU295 4.9 18.4 1.0 CA A:GLU301 4.9 19.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Pullulanase Type I From Bacillus Subtilis Str. 168 Complexed with Alpha-Cyclodextrin


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 Pullulanase Type I From Bacillus Subtilis Str. 168 Complexed with Alpha-Cyclodextrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca742 b:17.9 occ:1.00 O B:PHE276 2.4 12.7 1.0 OD2 B:ASP275 2.4 14.5 1.0 O B:HOH897 2.4 20.9 1.0 OE2 B:GLU281 2.5 15.2 1.0 O B:HOH1396 2.5 26.6 1.0 OE2 B:GLU301 2.6 12.2 1.0 O B:HOH954 2.6 18.2 1.0 CD B:GLU301 3.3 14.5 1.0 OE1 B:GLU301 3.4 15.1 1.0 CG B:ASP275 3.5 17.2 1.0 CD B:GLU281 3.5 19.5 1.0 C B:PHE276 3.5 14.3 1.0 N B:PHE276 3.8 14.9 1.0 O B:HOH806 4.0 14.0 1.0 OD1 B:ASP275 4.0 16.8 1.0 CG B:GLU281 4.1 18.9 1.0 CA B:PHE276 4.3 14.3 1.0 N B:GLY302 4.4 16.7 1.0 O B:VAL279 4.4 15.6 1.0 O B:HOH1186 4.5 26.7 1.0 OE1 B:GLU281 4.5 16.8 1.0 N B:ALA277 4.6 14.2 1.0 C B:ASP275 4.6 16.6 1.0 CD2 B:PHE276 4.7 13.5 1.0 CB B:ASP275 4.7 16.7 1.0 CA B:ASP275 4.7 17.3 1.0 CG B:GLU301 4.7 16.4 1.0 OD1 B:ASN188 4.8 17.8 1.0 CD1 B:LEU295 4.8 19.1 1.0 CA B:ALA277 4.8 13.2 1.0 CA B:ASN188 4.9 17.1 1.0 CA B:GLU301 4.9 14.5 1.0 CG B:PHE276 4.9 13.6 1.0

D.Malle, H.Iwamoto, Y.Katsuya, S.Utsumi, B.Mikami. Crystal Structure of Pullulanase Type I From Bacillus Subtilis Str. 168 in Complex with Maltose and Alpha-Cyclodextrin To Be Published.