Calcium in PDB 7kw6: Crystal Structure of the BLCEL48B From Bacillus Licheniformis

The structure of Crystal Structure of the BLCEL48B From Bacillus Licheniformis, PDB code: 7kw6 was solved by E.A.Araujo, I.Polikarpov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.70 / 1.68
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.537, 98.98, 59.91, 90, 103.14, 90
R / Rfree (%)	14.8 / 18.1

The binding sites of Calcium atom in the Crystal Structure of the BLCEL48B From Bacillus Licheniformis (pdb code 7kw6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the BLCEL48B From Bacillus Licheniformis, PDB code: 7kw6:

Calcium binding site 1 out of 1 in the Crystal Structure of the BLCEL48B 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 BLCEL48B From Bacillus Licheniformis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca813 b:18.6 occ:1.00 OD2 A:ASP406 2.4 11.7 1.0 O A:HOH994 2.4 23.7 1.0 O A:GLN182 2.4 11.4 1.0 OE2 A:GLU187 2.5 11.7 1.0 O A:HOH1315 2.6 13.8 1.0 OE1 A:GLN182 2.6 16.4 1.0 OE1 A:GLU187 2.6 9.6 1.0 O A:HOH988 2.6 23.8 1.0 CD A:GLU187 2.9 10.5 1.0 CG A:ASP406 3.5 14.4 1.0 C A:GLN182 3.5 13.5 1.0 CD A:GLN182 3.7 12.6 1.0 CB A:GLN182 3.9 10.0 1.0 CB A:ASP406 4.0 12.6 1.0 NH2 A:ARG598 4.1 12.2 1.0 CA A:GLN182 4.1 10.7 1.0 O A:HOH1404 4.3 17.2 1.0 CG A:GLU187 4.4 7.1 1.0 CG A:GLN182 4.5 9.9 1.0 N A:SER184 4.5 10.9 1.0 OD1 A:ASP406 4.5 12.6 1.0 N A:GLU183 4.7 9.2 1.0 OE1 A:GLU603 4.7 12.7 1.0 NE2 A:GLN182 4.8 16.1 1.0 O A:HOH1381 4.9 30.4 1.0 O A:HOH924 4.9 14.4 1.0 OG A:SER184 4.9 9.6 1.0 CA A:GLU183 4.9 9.6 1.0 O A:HOH1230 4.9 15.4 1.0 CB A:SER184 5.0 8.8 1.0

E.A.Araujo, A.H.S.Dias, M.A.S.Kadowaki, V.Piyadov, V.O.A.Pellegrini, M.B.Urio, L.P.Ramos, M.S.Skaf, I.Polikarpov. Impact of Cellulose Properties on Enzymatic Degradation By Bacterial GH48 Enzymes: Structural and Mechanistic Insights From Processive Bacillus Licheniformis CEL48B Cellulase. Carbohydr Polym V. 264 18059 2021.
ISSN: ESSN 1879-1344
PubMed: 33910709
DOI: 10.1016/J.CARBPOL.2021.118059