Calcium in PDB 3d6e: Crystal Structure of the Engineered 1,3-1,4-Beta-Glucanase Protein From Bacillus Licheniformis

All present enzymatic activity of Crystal Structure of the Engineered 1,3-1,4-Beta-Glucanase Protein From Bacillus Licheniformis:
3.2.1.73;

The structure of Crystal Structure of the Engineered 1,3-1,4-Beta-Glucanase Protein From Bacillus Licheniformis, PDB code: 3d6e was solved by I.Fita, A.Planas, B.M.Calisto, T.Addington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	39.551, 54.813, 54.910, 61.38, 85.72, 86.10
R / Rfree (%)	21 / 25.5

The binding sites of Calcium atom in the Crystal Structure of the Engineered 1,3-1,4-Beta-Glucanase Protein From Bacillus Licheniformis (pdb code 3d6e). 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 the Engineered 1,3-1,4-Beta-Glucanase Protein From Bacillus Licheniformis, PDB code: 3d6e:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Engineered 1,3-1,4-Beta-Glucanase Protein From Bacillus Licheniformis


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 the Engineered 1,3-1,4-Beta-Glucanase Protein From Bacillus Licheniformis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:30.4 occ:1.00 O A:PRO9 2.4 26.5 1.0 O A:GLY32 2.4 28.3 1.0 O A:ASN194 2.5 22.6 1.0 OD1 A:ASN194 2.5 21.4 1.0 O A:HOH227 2.6 17.1 1.0 O A:HOH260 2.7 31.9 1.0 C A:ASN194 3.4 22.3 1.0 C A:PRO9 3.5 26.6 1.0 C A:GLY32 3.5 28.3 1.0 CG A:ASN194 3.5 21.7 1.0 CA A:ASN194 4.0 22.1 1.0 CA A:GLY32 4.0 28.2 1.0 CA A:PRO9 4.1 26.6 1.0 CB A:ASN194 4.3 22.1 1.0 ND2 A:ASN194 4.4 21.5 1.0 N A:TRP195 4.4 22.6 1.0 CB A:PRO9 4.5 26.6 1.0 CB A:TRP195 4.5 22.9 1.0 N A:PHE10 4.6 26.6 1.0 N A:GLU33 4.6 28.2 1.0 ND2 A:ASN11 4.7 26.6 1.0 CB A:PHE10 4.8 26.6 1.0 O A:LEU31 4.8 28.2 1.0 CA A:TRP195 4.8 22.8 1.0 O A:PHE10 4.9 26.6 1.0 C A:PHE10 4.9 26.7 1.0 CD1 A:TRP195 4.9 22.6 1.0 CA A:PHE10 5.0 26.7 1.0 CA A:GLU33 5.0 28.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Engineered 1,3-1,4-Beta-Glucanase Protein From Bacillus Licheniformis


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 the Engineered 1,3-1,4-Beta-Glucanase Protein From Bacillus Licheniformis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:25.6 occ:1.00 O B:PRO9 2.3 26.4 1.0 O B:GLY32 2.3 28.2 1.0 O B:ASN194 2.4 22.4 1.0 OD1 B:ASN194 2.5 21.6 1.0 C B:ASN194 3.3 22.2 1.0 C B:PRO9 3.4 26.6 1.0 CG B:ASN194 3.5 21.8 1.0 C B:GLY32 3.5 28.2 1.0 CA B:ASN194 3.9 22.1 1.0 CA B:GLY32 4.1 28.1 1.0 CA B:PRO9 4.1 26.6 1.0 CB B:ASN194 4.3 22.1 1.0 ND2 B:ASN194 4.3 21.7 1.0 N B:TRP195 4.4 22.5 1.0 CB B:TRP195 4.5 22.8 1.0 N B:PHE10 4.5 26.6 1.0 CB B:PRO9 4.6 26.6 1.0 N B:GLU33 4.6 28.2 1.0 CB B:PHE10 4.6 26.6 1.0 O B:PHE10 4.7 26.5 1.0 CA B:TRP195 4.7 22.8 1.0 O B:LEU31 4.8 28.2 1.0 OD1 B:ASN11 4.8 26.6 1.0 C B:PHE10 4.8 26.7 1.0 CA B:PHE10 4.8 26.6 1.0 CD1 B:TRP195 4.9 22.6 1.0 CA B:GLU33 4.9 28.3 1.0

T.Addington, B.Calisto, M.Alfonso-Prieto, C.Rovira, I.Fita, A.Planas. Re-Engineering Specificity in 1,3-1,4-Beta-Glucanase to Accept Branched Xyloglucan Substrates Proteins V. 79 365 2011.
ISSN: ISSN 0887-3585
PubMed: 21069723
DOI: 10.1002/PROT.22884