Calcium in PDB 1ua7: Crystal Structure Analysis of Alpha-Amylase From Bacillus Subtilis Complexed with Acarbose

All present enzymatic activity of Crystal Structure Analysis of Alpha-Amylase From Bacillus Subtilis Complexed with Acarbose:
3.2.1.1;

The structure of Crystal Structure Analysis of Alpha-Amylase From Bacillus Subtilis Complexed with Acarbose, PDB code: 1ua7 was solved by M.Kagawa, Z.Fujimoto, M.Momma, K.Takase, H.Mizuno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 2.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.320, 74.204, 115.724, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 26.5

The binding sites of Calcium atom in the Crystal Structure Analysis of Alpha-Amylase From Bacillus Subtilis Complexed with Acarbose (pdb code 1ua7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure Analysis of Alpha-Amylase From Bacillus Subtilis Complexed with Acarbose, PDB code: 1ua7:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure Analysis of Alpha-Amylase From Bacillus Subtilis Complexed with Acarbose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Analysis of Alpha-Amylase From Bacillus Subtilis Complexed with Acarbose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:13.9 occ:1.00 O A:HIS180 2.2 15.2 1.0 O A:HOH667 2.3 27.6 1.0 O A:HOH608 2.4 7.0 1.0 O A:THR137 2.4 19.9 1.0 O A:HOH798 2.5 10.3 1.0 OD1 A:ASN101 2.5 11.8 1.0 OD1 A:ASP146 2.6 23.3 1.0 OD2 A:ASP146 2.6 20.2 1.0 CG A:ASP146 2.9 18.0 1.0 C A:HIS180 3.4 16.5 1.0 C A:THR137 3.5 20.3 1.0 CG A:ASN101 3.7 14.3 1.0 CA A:THR137 4.1 18.9 1.0 CB A:HIS180 4.2 14.3 1.0 ND2 A:ASN101 4.2 6.9 1.0 CA A:ILE181 4.3 16.1 1.0 N A:ILE181 4.3 16.3 1.0 CA A:HIS180 4.4 16.4 1.0 O A:ASN101 4.4 14.8 1.0 O A:ASN139 4.4 21.8 1.0 CG1 A:ILE181 4.4 12.5 1.0 CB A:ASP146 4.4 18.8 1.0 ND1 A:HIS122 4.5 18.3 1.0 O A:TRP147 4.6 20.3 1.0 N A:GLN138 4.6 21.4 1.0 CE1 A:HIS122 4.8 20.8 1.0 O A:VAL136 4.8 18.0 1.0 O A:HOH648 4.8 16.9 1.0 OE1 A:GLU182 4.8 12.6 1.0 CA A:GLN138 4.9 21.1 1.0 CB A:THR137 4.9 17.6 1.0 CB A:ASN101 4.9 11.9 1.0 CB A:ILE181 5.0 14.8 1.0

Calcium binding site 2 out of 3 in the Crystal Structure Analysis of Alpha-Amylase From Bacillus Subtilis Complexed with Acarbose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure Analysis of Alpha-Amylase From Bacillus Subtilis Complexed with Acarbose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:19.1 occ:1.00 O A:GLY169 2.3 18.8 1.0 OD2 A:ASP171 2.3 12.9 1.0 OD1 A:ASP171 2.3 16.0 1.0 O A:HOH800 2.4 17.1 1.0 O A:HOH796 2.4 15.8 1.0 O A:HOH801 2.4 9.3 1.0 CG A:ASP171 2.6 16.9 1.0 O A:HOH716 2.6 14.9 1.0 C A:GLY169 3.4 16.9 1.0 CA A:GLY169 4.0 18.3 1.0 CB A:ASP171 4.1 15.5 1.0 C A:ALA170 4.2 15.1 1.0 O A:ALA170 4.2 15.8 1.0 O A:HOH809 4.4 15.7 1.0 N A:ASP171 4.4 16.0 1.0 N A:ALA170 4.4 13.1 1.0 OE1 A:GLU88 4.5 25.0 1.0 O A:HOH821 4.5 24.9 1.0 O A:HOH678 4.6 15.6 1.0 CA A:ALA170 4.7 14.6 1.0 CA A:ASP171 4.7 13.6 1.0 O A:CYS84 4.7 11.5 1.0 N A:VAL94 4.8 19.0 1.0 CB A:CYS84 4.9 16.9 1.0 O A:HOH772 4.9 27.7 1.0

Calcium binding site 3 out of 3 in the Crystal Structure Analysis of Alpha-Amylase From Bacillus Subtilis Complexed with Acarbose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure Analysis of Alpha-Amylase From Bacillus Subtilis Complexed with Acarbose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca603 b:11.8 occ:1.00 O A:HOH905 2.3 22.9 1.0 O A:GLY313 2.3 13.7 1.0 O A:HOH795 2.4 10.0 1.0 OE2 A:GLU276 2.4 11.4 1.0 O A:HOH811 2.5 16.8 1.0 OE1 A:GLU276 2.5 10.6 1.0 CD A:GLU276 2.8 11.6 1.0 C A:GLY313 3.5 13.9 1.0 CA A:VAL314 4.1 15.2 1.0 O A:HOH1012 4.2 34.3 1.0 O A:HOH783 4.2 23.4 1.0 N A:ARG315 4.2 13.8 1.0 N A:VAL314 4.2 13.4 1.0 O A:HOH640 4.3 6.4 1.0 CG A:GLU276 4.3 12.3 1.0 CA A:GLY313 4.6 11.3 1.0 O A:HOH951 4.7 29.9 1.0 C A:VAL314 4.7 15.5 1.0 O A:HOH868 4.9 28.4 1.0

M.Kagawa, Z.Fujimoto, M.Momma, K.Takase, H.Mizuno. Crystal Structure of Bacillus Subtilis Alpha-Amylase in Complex with Acarbose J.Bacteriol. V. 185 6981 2003.
ISSN: ISSN 0021-9193
PubMed: 14617662
DOI: 10.1128/JB.185.23.6981-6984.2003