Calcium in PDB 1ajo: Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-127

All present enzymatic activity of Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-127:
3.2.1.73;

The structure of Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-127, PDB code: 1ajo 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)	9.99 / 2.07
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.950, 46.550, 63.990, 92.60, 109.28, 116.68
R / Rfree (%)	17.6 / 23.5

The binding sites of Calcium atom in the Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-127 (pdb code 1ajo). 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-127, PDB code: 1ajo:
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-127


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-127 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca215 b:19.6 occ:1.00 OD1 A:ASP81 2.5 15.4 1.0 O A:GLY133 2.6 15.1 1.0 O A:PRO97 2.6 17.3 1.0 O A:ASP81 2.7 9.9 1.0 O A:HOH241 2.8 20.6 1.0 O A:HOH246 2.8 25.1 1.0 O A:HOH229 2.8 20.1 1.0 C A:ASP81 3.6 10.4 1.0 CG A:ASP81 3.7 13.3 1.0 C A:PRO97 3.8 18.1 1.0 C A:GLY133 3.8 21.4 1.0 CA A:ASP81 4.0 7.8 1.0 CA A:GLY133 4.2 19.2 1.0 CA A:PRO97 4.3 19.2 1.0 CB A:ASP81 4.5 11.5 1.0 OD2 A:ASP81 4.5 17.9 1.0 CB A:PRO97 4.5 19.4 1.0 O A:HOH244 4.6 17.4 1.0 O A:ASP132 4.7 23.6 1.0 O A:PHE98 4.7 20.7 1.0 N A:TRP82 4.7 9.6 1.0 CB A:PHE98 4.8 16.3 1.0 N A:LYS134 4.8 15.3 1.0 N A:PHE98 4.8 19.1 1.0 C A:PHE98 4.8 21.5 1.0 CB A:TRP82 4.9 12.6 1.0 CA A:LYS134 4.9 14.9 1.0 OD1 A:ASN99 5.0 30.3 1.0 CA A:PHE98 5.0 18.3 1.0 CA A:TRP82 5.0 10.8 1.0

Calcium binding site 2 out of 2 in the Circularly Permuted (1-3,1-4)-Beta-D-Glucan 4- Glucanohydrolase CPA16M-127


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-127 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca215 b:20.1 occ:1.00 OD1 B:ASP81 2.6 16.0 1.0 O B:ASP81 2.6 7.3 1.0 O B:PRO97 2.7 19.0 1.0 O B:GLY133 2.7 17.8 1.0 O B:HOH257 2.7 17.9 1.0 O B:HOH245 2.8 15.1 1.0 O B:HOH244 2.8 40.0 1.0 C B:ASP81 3.6 11.4 1.0 CG B:ASP81 3.7 14.9 1.0 C B:GLY133 3.8 21.5 1.0 C B:PRO97 3.8 19.4 1.0 CA B:ASP81 4.0 9.0 1.0 CA B:PRO97 4.3 19.0 1.0 CA B:GLY133 4.3 20.0 1.0 CB B:ASP81 4.5 11.3 1.0 CB B:PRO97 4.5 18.5 1.0 OD2 B:ASP81 4.6 16.9 1.0 O B:HOH268 4.6 24.9 1.0 N B:TRP82 4.7 9.9 1.0 O B:ASP132 4.7 25.0 1.0 N B:LYS134 4.8 15.9 1.0 CB B:PHE98 4.8 17.9 1.0 N B:PHE98 4.8 19.6 1.0 CB B:TRP82 4.8 12.9 1.0 O B:PHE98 4.9 19.3 1.0 C B:PHE98 4.9 23.7 1.0 CA B:LYS134 4.9 17.1 1.0 CA B:TRP82 5.0 9.8 1.0 OD1 B:ASN99 5.0 29.8 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