Calcium in PDB 1amy: Crystal and Molecular Structure of Barley Alpha-Amylase

All present enzymatic activity of Crystal and Molecular Structure of Barley Alpha-Amylase:
3.2.1.1;

The structure of Crystal and Molecular Structure of Barley Alpha-Amylase, PDB code: 1amy was solved by A.Kadziola, R.Haser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	135.200, 135.200, 79.600, 90.00, 90.00, 120.00
R / Rfree (%)	15.3 / n/a

The binding sites of Calcium atom in the Crystal and Molecular Structure of Barley Alpha-Amylase (pdb code 1amy). 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 and Molecular Structure of Barley Alpha-Amylase, PDB code: 1amy:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal and Molecular Structure of Barley Alpha-Amylase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal and Molecular Structure of Barley Alpha-Amylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca500 b:17.8 occ:1.00 O A:ALA141 2.1 13.7 1.0 O A:GLY183 2.1 2.0 1.0 OD1 A:ASN91 2.1 7.2 1.0 O A:HOH630 2.1 15.0 1.0 OD1 A:ASP138 2.3 2.0 1.0 OD2 A:ASP148 2.6 3.2 1.0 OD2 A:ASP138 2.7 15.9 1.0 CG A:ASP138 2.9 18.3 1.0 C A:GLY183 3.2 7.5 1.0 CG A:ASN91 3.3 5.0 1.0 C A:ALA141 3.4 12.9 1.0 CG A:ASP148 3.6 12.6 1.0 CA A:GLY183 3.7 10.4 1.0 ND2 A:ASN91 4.0 2.0 1.0 CB A:ASP148 4.1 2.0 1.0 O A:GLY140 4.1 14.5 1.0 O A:ASN91 4.1 18.1 1.0 C A:GLY140 4.2 12.8 1.0 N A:ASP142 4.3 12.9 1.0 N A:ALA141 4.3 12.0 1.0 N A:TYR184 4.3 3.8 1.0 CA A:ASP142 4.3 10.2 1.0 CA A:ALA141 4.4 11.8 1.0 CB A:ASP138 4.4 19.9 1.0 CB A:ASN91 4.5 8.6 1.0 OD1 A:ASP148 4.7 8.2 1.0 CA A:TYR184 4.7 5.1 1.0 N A:GLY140 4.8 14.0 1.0 CA A:GLY140 4.9 10.6 1.0 C A:ASN91 4.9 11.1 1.0

Calcium binding site 2 out of 3 in the Crystal and Molecular Structure of Barley Alpha-Amylase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal and Molecular Structure of Barley Alpha-Amylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:5.5 occ:1.00 O A:HOH656 2.1 31.1 1.0 O A:HOH604 2.2 2.0 1.0 O A:ASP113 2.2 12.2 1.0 O A:THR111 2.4 10.8 1.0 OD2 A:ASP117 2.4 16.6 1.0 OE2 A:GLU108 2.6 9.6 1.0 OD1 A:ASP117 2.6 18.8 1.0 CG A:ASP117 2.8 18.0 1.0 OE1 A:GLU108 2.9 13.3 1.0 CD A:GLU108 3.1 11.2 1.0 C A:ASP113 3.5 14.1 1.0 C A:THR111 3.6 11.1 1.0 O A:PRO112 3.8 24.0 1.0 C A:PRO112 4.0 15.1 1.0 N A:ASP113 4.2 15.8 1.0 N A:THR111 4.2 17.5 1.0 CB A:ASP117 4.3 14.2 1.0 OG1 A:THR111 4.3 8.1 1.0 N A:ALA114 4.4 13.3 1.0 O A:ARG115 4.4 10.7 1.0 CA A:ALA114 4.4 11.3 1.0 CA A:THR111 4.4 12.4 1.0 CA A:ASP113 4.4 14.0 1.0 N A:PRO112 4.5 12.9 1.0 CA A:PRO112 4.5 13.3 1.0 CG A:GLU108 4.6 7.8 1.0 N A:GLY109 4.6 5.5 1.0 O A:HOH687 4.8 35.0 1.0 C A:ALA114 4.8 10.7 1.0 N A:GLY110 4.9 9.8 1.0

Calcium binding site 3 out of 3 in the Crystal and Molecular Structure of Barley Alpha-Amylase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal and Molecular Structure of Barley Alpha-Amylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:14.7 occ:1.00 O A:PHE143 2.2 18.2 1.0 O A:ALA146 2.2 8.6 1.0 OD2 A:ASP127 2.4 15.2 1.0 OD1 A:ASP148 2.5 8.2 1.0 OD1 A:ASP127 2.6 23.0 1.0 OD1 A:ASP142 2.8 24.3 1.0 CG A:ASP127 2.9 15.5 1.0 O A:GLY144 3.3 16.1 1.0 CG A:ASP142 3.3 18.5 1.0 OD2 A:ASP142 3.4 20.1 1.0 C A:PHE143 3.4 13.3 1.0 C A:ALA146 3.5 6.8 1.0 CG A:ASP148 3.7 12.6 1.0 N A:PHE143 4.0 10.7 1.0 C A:GLY144 4.2 8.1 1.0 N A:ASP148 4.2 3.8 1.0 N A:ALA146 4.3 9.2 1.0 N A:GLY144 4.3 6.3 1.0 C A:PRO147 4.4 7.7 1.0 CB A:ASP148 4.4 2.0 1.0 CA A:PHE143 4.4 12.6 1.0 N A:PRO147 4.4 5.5 1.0 CB A:ASP127 4.4 12.3 1.0 CA A:GLY144 4.4 5.4 1.0 CA A:ALA146 4.5 5.3 1.0 CA A:PRO147 4.5 5.3 1.0 OD2 A:ASP148 4.6 3.2 1.0 CB A:ASP142 4.7 9.6 1.0 CB A:PHE143 4.8 6.8 1.0 CA A:ASP148 4.8 5.7 1.0 O A:PRO147 4.9 11.3 1.0 CE2 A:TYR130 5.0 13.3 1.0

A.Kadziola, J.Abe, B.Svensson, R.Haser. Crystal and Molecular Structure of Barley Alpha-Amylase. J.Mol.Biol. V. 239 104 1994.
ISSN: ISSN 0022-2836
PubMed: 8196040
DOI: 10.1006/JMBI.1994.1354