Calcium in PDB 1ajk: Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-84

All present enzymatic activity of Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-84:
3.2.1.73;

The structure of Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-84, PDB code: 1ajk was solved by J.Ay, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.33 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.450, 65.820, 69.610, 90.00, 106.87, 90.00
R / Rfree (%)	16.8 / 21.9

The binding sites of Calcium atom in the Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-84 (pdb code 1ajk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-84, PDB code: 1ajk:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-84


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-84 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca215 b:11.4 occ:1.00 O A:GLY176 2.5 12.5 1.0 O A:PRO140 2.5 13.4 1.0 O A:ASP124 2.5 10.3 1.0 OD1 A:ASP124 2.6 13.6 1.0 O A:HOH310 2.7 16.4 1.0 O A:HOH342 2.7 16.4 1.0 C A:ASP124 3.6 9.8 1.0 C A:GLY176 3.6 15.0 1.0 C A:PRO140 3.6 14.1 1.0 CG A:ASP124 3.7 18.7 1.0 CA A:ASP124 3.9 7.2 1.0 CA A:PRO140 4.1 10.5 1.0 CA A:GLY176 4.1 10.0 1.0 CB A:PRO140 4.2 13.3 1.0 CB A:ASP124 4.4 8.9 1.0 O A:HOH382 4.5 35.2 1.0 OD2 A:ASP124 4.5 16.1 1.0 O A:HOH368 4.5 30.3 1.0 N A:TRP125 4.6 7.3 1.0 N A:LYS177 4.6 10.5 1.0 OD1 A:ASN142 4.7 18.8 1.0 N A:PHE141 4.7 13.2 1.0 CB A:TRP125 4.7 10.7 1.0 O A:ASP175 4.8 17.9 1.0 C A:PHE141 4.8 13.4 1.0 CB A:PHE141 4.8 12.6 1.0 O A:PHE141 4.8 16.2 1.0 CA A:LYS177 4.8 11.6 1.0 CA A:TRP125 4.9 8.9 1.0 CA A:PHE141 5.0 12.5 1.0

Calcium binding site 2 out of 2 in the Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-84


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-84 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca215 b:15.0 occ:1.00 O B:ASP124 2.5 12.7 1.0 O B:GLY176 2.5 16.0 1.0 O B:PRO140 2.6 16.1 1.0 O A:HOH337 2.6 22.4 1.0 OD1 B:ASP124 2.6 20.3 1.0 O B:HOH221 2.6 19.1 1.0 O B:HOH220 2.7 19.5 1.0 C B:ASP124 3.6 13.4 1.0 C B:GLY176 3.7 18.2 1.0 C B:PRO140 3.7 15.1 1.0 CG B:ASP124 3.7 21.8 1.0 CA B:ASP124 3.9 13.9 1.0 CA B:GLY176 4.1 16.6 1.0 CA B:PRO140 4.1 15.2 1.0 CB B:ASP124 4.4 13.7 1.0 CB B:PRO140 4.4 15.2 1.0 OD2 B:ASP124 4.5 20.1 1.0 N B:TRP125 4.6 12.0 1.0 N B:LYS177 4.7 15.3 1.0 N B:PHE141 4.7 14.8 1.0 O A:HOH397 4.7 36.3 1.0 O B:ASP175 4.7 24.3 1.0 CB B:PHE141 4.7 17.7 1.0 O B:PHE141 4.8 19.1 1.0 OD1 B:ASN142 4.8 22.5 1.0 CA B:LYS177 4.8 16.0 1.0 O3S A:EPE309 4.8 43.3 1.0 C B:PHE141 4.8 17.3 1.0 CB B:TRP125 4.8 10.0 1.0 O1S A:EPE309 4.8 43.2 1.0 CA B:TRP125 5.0 10.7 1.0 CA B:PHE141 5.0 16.2 1.0 CG B:LYS177 5.0 21.3 1.0

J.Ay, M.Hahn, K.Decanniere, K.Piotukh, R.Borriss, U.Heinemann. Crystal Structures and Properties of De Novo Circularly Permuted 1,3-1,4-Beta-Glucanases. Proteins V. 30 155 1998.
ISSN: ISSN 0887-3585
PubMed: 9489923
DOI: 10.1002/(SICI)1097-0134(19980201)30:2<155::AID-PROT5>3.0.CO;2-M