Calcium in PDB 3bsg: Barley Alpha-Amylase Isozyme 1 (AMY1) H395A Mutant

All present enzymatic activity of Barley Alpha-Amylase Isozyme 1 (AMY1) H395A Mutant:
3.2.1.1;

The structure of Barley Alpha-Amylase Isozyme 1 (AMY1) H395A Mutant, PDB code: 3bsg was solved by N.Aghajari, X.Robert, R.Haser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.45 / 1.95
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.150, 72.230, 61.330, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 26.6

The binding sites of Calcium atom in the Barley Alpha-Amylase Isozyme 1 (AMY1) H395A Mutant (pdb code 3bsg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Barley Alpha-Amylase Isozyme 1 (AMY1) H395A Mutant, PDB code: 3bsg:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Barley Alpha-Amylase Isozyme 1 (AMY1) H395A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Barley Alpha-Amylase Isozyme 1 (AMY1) H395A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca500 b:10.7 occ:1.00 O A:HOH630 2.1 9.7 1.0 O A:ALA142 2.3 12.8 1.0 OD2 A:ASP149 2.3 12.2 1.0 OD1 A:ASN92 2.4 10.2 1.0 O A:GLY184 2.5 5.0 1.0 OD2 A:ASP139 2.5 3.4 1.0 OD1 A:ASP139 2.6 8.5 1.0 CG A:ASP139 2.9 9.7 1.0 CG A:ASP149 3.4 12.6 1.0 C A:GLY184 3.4 6.9 1.0 CG A:ASN92 3.4 11.9 1.0 C A:ALA142 3.5 12.7 1.0 CB A:ASP149 3.8 12.6 1.0 CA A:GLY184 3.8 6.7 1.0 ND2 A:ASN92 3.9 8.8 1.0 O A:GLY141 4.0 7.8 1.0 C A:GLY141 4.1 8.8 1.0 O A:ASN92 4.2 7.0 1.0 CA A:ASP143 4.2 13.5 1.0 N A:ASP143 4.3 13.2 1.0 N A:ALA142 4.4 9.8 1.0 CB A:ASP139 4.4 9.9 1.0 OD1 A:ASP149 4.5 12.0 1.0 N A:TYR185 4.5 7.6 1.0 N A:GLY141 4.5 7.8 1.0 CA A:ALA142 4.6 11.3 1.0 CA A:GLY141 4.6 7.0 1.0 O A:HOH754 4.6 10.0 1.0 CB A:ASN92 4.7 7.6 1.0 O A:HOH809 4.7 26.2 1.0 C A:ASN92 4.9 9.0 1.0 SG A:CYS125 4.9 11.3 1.0 CA A:TYR185 5.0 6.9 1.0 CA A:ASP149 5.0 12.6 1.0

Calcium binding site 2 out of 3 in the Barley Alpha-Amylase Isozyme 1 (AMY1) H395A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Barley Alpha-Amylase Isozyme 1 (AMY1) H395A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:19.0 occ:1.00 OE2 A:GLU109 2.3 18.2 1.0 O A:ASP114 2.3 27.9 1.0 OD2 A:ASP118 2.4 21.9 1.0 O A:HOH604 2.4 14.4 1.0 OE1 A:GLU109 2.6 14.5 1.0 OD1 A:ASP118 2.6 21.5 1.0 CD A:GLU109 2.8 16.2 1.0 CG A:ASP118 2.8 25.1 1.0 O A:THR112 2.9 29.6 1.0 C A:ASP114 3.6 28.7 1.0 C A:THR112 3.8 29.4 1.0 O A:SER113 3.9 32.8 1.0 C A:SER113 4.1 31.6 1.0 OG1 A:THR112 4.1 28.3 1.0 CG A:GLU109 4.3 15.6 1.0 N A:GLY110 4.3 15.1 1.0 N A:THR112 4.3 25.8 1.0 CA A:GLY115 4.3 27.8 1.0 CB A:ASP118 4.3 23.6 1.0 N A:ASP114 4.4 31.3 1.0 N A:GLY115 4.4 29.6 1.0 O A:ARG116 4.5 21.9 1.0 CA A:ASP114 4.6 30.3 1.0 N A:SER113 4.6 30.5 1.0 CA A:THR112 4.6 27.7 1.0 N A:GLY111 4.6 20.6 1.0 O A:HOH843 4.7 21.6 1.0 CA A:SER113 4.7 32.2 1.0 C A:GLY115 4.7 28.1 1.0 O A:HOH724 4.7 17.5 1.0 CA A:GLU109 4.8 16.7 1.0 O A:HOH1068 4.8 32.8 1.0 N A:ARG116 4.8 26.8 1.0

Calcium binding site 3 out of 3 in the Barley Alpha-Amylase Isozyme 1 (AMY1) H395A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Barley Alpha-Amylase Isozyme 1 (AMY1) H395A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:19.8 occ:1.00 O A:PHE144 2.3 17.1 1.0 OD2 A:ASP128 2.3 16.2 1.0 OD1 A:ASP149 2.4 12.0 1.0 OD1 A:ASP143 2.4 19.1 1.0 O A:HOH788 2.5 10.5 1.0 O A:ALA147 2.5 17.1 1.0 CG A:ASP143 3.1 15.6 1.0 CG A:ASP128 3.1 19.5 1.0 OD2 A:ASP143 3.1 18.4 1.0 C A:PHE144 3.4 19.1 1.0 CG A:ASP149 3.4 12.6 1.0 OD1 A:ASP128 3.5 19.8 1.0 N A:ASP149 3.5 11.6 1.0 C A:ALA147 3.6 16.6 1.0 N A:PHE144 3.8 17.4 1.0 CB A:ASP149 4.0 12.6 1.0 C A:PRO148 4.0 14.8 1.0 CA A:PRO148 4.2 14.2 1.0 CA A:PHE144 4.2 18.8 1.0 CA A:ASP149 4.2 12.6 1.0 CB A:ASP128 4.3 19.2 1.0 N A:PRO148 4.3 14.9 1.0 N A:ALA145 4.4 19.6 1.0 OD2 A:ASP149 4.4 12.2 1.0 O A:ALA145 4.4 20.7 1.0 CB A:ASP143 4.5 16.1 1.0 O A:HOH809 4.5 26.2 1.0 N A:ALA147 4.6 19.7 1.0 CA A:ALA145 4.6 21.4 1.0 C A:ALA145 4.6 21.0 1.0 CB A:PHE144 4.7 22.0 1.0 C A:ASP143 4.7 14.7 1.0 CA A:ALA147 4.8 18.9 1.0 CE2 A:TYR131 4.8 24.4 1.0 O A:PRO148 4.9 11.9 1.0 CA A:ASP143 4.9 13.5 1.0 CD2 A:TYR131 5.0 26.1 1.0

M.M.Nielsen, E.S.Seo, S.Bozonnet, N.Aghajari, X.Robert, R.Haser, B.Svensson. Multi-Site Substrate Binding and Interplay in Barley Alpha-Amylase 1 Febs Lett. V. 582 2567 2008.
ISSN: ISSN 0014-5793
PubMed: 18588886
DOI: 10.1016/J.FEBSLET.2008.06.027