Calcium in PDB 6bt9: Chitinase CHIA74 From Bacillus Thuringiensis

The structure of Chitinase CHIA74 From Bacillus Thuringiensis, PDB code: 6bt9 was solved by E.Juarez-Hernandez, L.G.Brieba, A.Torres-Larios, P.Jimenez-Sandoval, J.Barboza-Corona, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.76 / 2.26
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	85.827, 82.407, 101.570, 90.00, 108.11, 90.00
R / Rfree (%)	23.9 / 25.3

The binding sites of Calcium atom in the Chitinase CHIA74 From Bacillus Thuringiensis (pdb code 6bt9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Chitinase CHIA74 From Bacillus Thuringiensis, PDB code: 6bt9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Chitinase CHIA74 From Bacillus Thuringiensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Chitinase CHIA74 From Bacillus Thuringiensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:14.5 occ:1.00 OD2 A:ASP512 1.9 13.3 1.0 OD2 A:ASP483 2.1 20.4 1.0 O A:GLU485 2.2 27.1 1.0 OD1 A:ASN513 2.3 10.4 1.0 OD2 A:ASP554 2.6 15.0 1.0 OD1 A:ASP483 2.6 19.3 1.0 CG A:ASP512 2.7 12.7 1.0 CG A:ASP483 2.7 21.0 1.0 OD1 A:ASP512 2.8 12.3 1.0 C A:GLU485 3.4 24.8 1.0 CG A:ASN513 3.5 11.3 1.0 CG A:ASP554 3.7 15.9 1.0 CB A:ASP554 4.1 15.3 1.0 CB A:ASP512 4.1 13.0 1.0 CB A:GLU485 4.1 29.1 1.0 ND2 A:ASN513 4.1 11.0 1.0 CA A:GLU485 4.1 26.7 1.0 N A:ASN513 4.2 12.1 1.0 CB A:ASP483 4.2 21.8 1.0 ND2 A:ASN558 4.3 21.1 1.0 N A:GLU485 4.3 25.1 1.0 N A:PRO486 4.4 23.0 1.0 C A:PRO486 4.4 17.3 1.0 N A:VAL514 4.4 11.0 1.0 CA A:PRO486 4.5 20.1 1.0 O A:PRO486 4.6 15.9 1.0 O A:HOH832 4.6 3.0 1.0 N A:PRO487 4.6 16.1 1.0 CB A:ASN513 4.7 11.3 1.0 CD A:PRO487 4.8 15.4 1.0 CG2 A:VAL514 4.8 10.8 1.0 CG A:GLU485 4.8 32.8 1.0 OD1 A:ASP554 4.8 16.4 1.0 CA A:ASP512 4.8 13.0 1.0 CA A:ASN513 4.8 11.6 1.0 CB A:VAL514 4.9 10.7 1.0 C A:ASP512 5.0 12.6 1.0

Calcium binding site 2 out of 2 in the Chitinase CHIA74 From Bacillus Thuringiensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Chitinase CHIA74 From Bacillus Thuringiensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca701 b:16.4 occ:1.00 OD2 B:ASP512 1.9 14.5 1.0 OD2 B:ASP483 2.2 17.6 1.0 O B:GLU485 2.3 24.6 1.0 OD1 B:ASN513 2.3 11.0 1.0 OD2 B:ASP554 2.5 14.5 1.0 CG B:ASP512 2.6 14.2 1.0 OD1 B:ASP483 2.7 15.6 1.0 OD1 B:ASP512 2.7 14.3 1.0 CG B:ASP483 2.7 17.8 1.0 C B:GLU485 3.5 24.0 1.0 CG B:ASN513 3.5 11.3 1.0 CG B:ASP554 3.6 16.2 1.0 CB B:ASP554 4.0 16.1 1.0 CB B:ASP512 4.1 14.0 1.0 CB B:GLU485 4.1 28.4 1.0 ND2 B:ASN513 4.1 10.8 1.0 N B:ASN513 4.2 12.3 1.0 CA B:GLU485 4.2 26.3 1.0 CB B:ASP483 4.2 18.5 1.0 ND2 B:ASN558 4.3 18.9 1.0 N B:VAL514 4.3 11.9 1.0 C B:PRO486 4.4 17.2 1.0 N B:GLU485 4.4 26.2 1.0 N B:PRO486 4.4 21.6 1.0 CA B:PRO486 4.5 19.5 1.0 O B:HOH828 4.5 5.6 1.0 N B:PRO487 4.6 16.5 1.0 O B:PRO486 4.6 15.6 1.0 CB B:ASN513 4.7 11.6 1.0 CD B:PRO487 4.7 15.9 1.0 OD1 B:ASP554 4.7 16.2 1.0 CG2 B:VAL514 4.8 12.3 1.0 CA B:ASP512 4.8 13.6 1.0 CA B:ASN513 4.8 11.9 1.0 CB B:VAL514 4.9 12.2 1.0 CG B:GLU485 4.9 32.1 1.0 C B:ASP512 5.0 12.9 1.0

E.O.Juarez-Hernandez, L.E.Casados-Vazquez, L.G.Brieba, A.Torres-Larios, P.Jimenez-Sandoval, J.E.Barboza-Corona. The Crystal Structure of the Chitinase CHIA74 of Bacillus Thuringiensis Has A Multidomain Assembly. Sci Rep V. 9 2591 2019.
ISSN: ESSN 2045-2322
PubMed: 30796308
DOI: 10.1038/S41598-019-39464-Z