Calcium in PDB 1bag: Alpha-Amylase From Bacillus Subtilis Complexed with Maltopentaose

All present enzymatic activity of Alpha-Amylase From Bacillus Subtilis Complexed with Maltopentaose:
3.2.1.1;

The structure of Alpha-Amylase From Bacillus Subtilis Complexed with Maltopentaose, PDB code: 1bag was solved by Z.Fujimoto, H.Mizuno, K.Takase, N.Doui, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.590, 74.060, 117.010, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 25.2

The binding sites of Calcium atom in the Alpha-Amylase From Bacillus Subtilis Complexed with Maltopentaose (pdb code 1bag). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Alpha-Amylase From Bacillus Subtilis Complexed with Maltopentaose, PDB code: 1bag:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Alpha-Amylase From Bacillus Subtilis Complexed with Maltopentaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Alpha-Amylase From Bacillus Subtilis Complexed with Maltopentaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca431 b:8.9 occ:1.00 O A:HIS180 2.3 12.9 1.0 O A:THR137 2.4 20.4 1.0 OD1 A:ASN101 2.4 2.0 1.0 O A:HOH509 2.5 9.3 1.0 OD1 A:ASP146 2.5 9.5 1.0 OD2 A:ASP146 2.9 11.3 1.0 CG A:ASP146 3.1 13.4 1.0 C A:HIS180 3.6 12.0 1.0 CG A:ASN101 3.6 2.6 1.0 C A:THR137 3.6 18.1 1.0 ND2 A:ASN101 4.2 2.0 1.0 CB A:HIS180 4.3 11.1 1.0 O A:ASN101 4.3 6.8 1.0 CA A:THR137 4.3 15.6 1.0 N A:ILE181 4.4 11.6 1.0 CA A:ILE181 4.5 11.2 1.0 CA A:HIS180 4.5 10.0 1.0 O A:TRP147 4.5 17.2 1.0 CB A:ASP146 4.6 10.6 1.0 CG1 A:ILE181 4.6 2.3 1.0 ND1 A:HIS122 4.6 11.2 1.0 O A:ASN139 4.7 10.1 1.0 N A:GLN138 4.7 16.8 1.0 CB A:ASN101 4.8 3.5 1.0 CE1 A:HIS122 4.9 12.8 1.0 OG1 A:THR149 5.0 10.8 1.0 CA A:GLN138 5.0 17.2 1.0 O A:VAL136 5.0 18.4 1.0

Calcium binding site 2 out of 3 in the Alpha-Amylase From Bacillus Subtilis Complexed with Maltopentaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Alpha-Amylase From Bacillus Subtilis Complexed with Maltopentaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca432 b:14.9 occ:1.00 O A:GLY169 2.3 13.8 1.0 O A:HOH538 2.4 20.5 1.0 O A:HOH470 2.5 7.8 1.0 O A:HOH482 2.5 15.8 1.0 OD2 A:ASP171 2.6 11.2 1.0 OD1 A:ASP171 2.6 7.9 1.0 CG A:ASP171 2.9 12.2 1.0 C A:GLY169 3.5 10.6 1.0 CA A:GLY169 4.2 11.7 1.0 O A:ALA170 4.4 11.2 1.0 C A:ALA170 4.4 8.5 1.0 CB A:ASP171 4.4 9.0 1.0 O A:CYS84 4.5 11.4 1.0 N A:ALA170 4.5 8.2 1.0 O A:HOH539 4.7 23.5 1.0 N A:ASP171 4.7 5.9 1.0 CA A:ALA170 4.8 6.3 1.0 N A:VAL94 5.0 9.7 1.0 CB A:CYS84 5.0 6.5 1.0

Calcium binding site 3 out of 3 in the Alpha-Amylase From Bacillus Subtilis Complexed with Maltopentaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Alpha-Amylase From Bacillus Subtilis Complexed with Maltopentaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca433 b:11.2 occ:1.00 O A:GLY313 2.3 5.5 1.0 O A:HOH526 2.4 13.2 1.0 O A:HOH524 2.4 25.3 1.0 OE2 A:GLU276 2.6 23.3 1.0 OE1 A:GLU276 2.6 19.5 1.0 O A:HOH494 2.6 17.9 1.0 CD A:GLU276 2.9 20.0 1.0 C A:GLY313 3.4 3.8 1.0 O A:HOH480 4.1 26.1 1.0 CA A:GLY313 4.2 5.3 1.0 N A:VAL314 4.2 3.1 1.0 CA A:VAL314 4.3 6.4 1.0 CG A:GLU276 4.4 17.5 1.0 O A:HOH571 4.5 23.4 1.0 N A:ARG315 4.5 10.4 1.0 C A:VAL314 4.9 8.1 1.0 O A:HOH450 5.0 4.4 1.0

Z.Fujimoto, K.Takase, N.Doui, M.Momma, T.Matsumoto, H.Mizuno. Crystal Structure of A Catalytic-Site Mutant Alpha-Amylase From Bacillus Subtilis Complexed with Maltopentaose. J.Mol.Biol. V. 277 393 1998.
ISSN: ISSN 0022-2836
PubMed: 9514750
DOI: 10.1006/JMBI.1997.1599