Calcium in PDB 1ht6: Crystal Structure at 1.5A Resolution of the Barley Alpha- Amylase Isozyme 1

All present enzymatic activity of Crystal Structure at 1.5A Resolution of the Barley Alpha- Amylase Isozyme 1:
3.2.1.1;

The structure of Crystal Structure at 1.5A Resolution of the Barley Alpha- Amylase Isozyme 1, PDB code: 1ht6 was solved by X.Robert, R.Haser, N.Aghajari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.56 / 1.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.360, 72.820, 61.740, 90.00, 90.00, 90.00
R / Rfree (%)	13.6 / 16.3

The binding sites of Calcium atom in the Crystal Structure at 1.5A Resolution of the Barley Alpha- Amylase Isozyme 1 (pdb code 1ht6). 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 at 1.5A Resolution of the Barley Alpha- Amylase Isozyme 1, PDB code: 1ht6:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure at 1.5A Resolution of the Barley Alpha- Amylase Isozyme 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure at 1.5A Resolution of the Barley Alpha- Amylase Isozyme 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca500 b:5.5 occ:1.00 O A:GLY184 2.3 5.2 1.0 O A:ALA142 2.3 6.0 1.0 OD2 A:ASP149 2.4 5.8 1.0 OD2 A:ASP139 2.4 6.1 1.0 OD1 A:ASN92 2.4 4.3 1.0 O A:HOH630 2.4 5.7 1.0 OD1 A:ASP139 2.5 5.4 1.0 CG A:ASP139 2.8 4.8 1.0 C A:GLY184 3.4 4.8 1.0 CG A:ASP149 3.4 6.9 1.0 CG A:ASN92 3.4 6.0 1.0 C A:ALA142 3.5 7.1 1.0 CA A:GLY184 3.8 6.2 1.0 ND2 A:ASN92 3.8 5.7 1.0 CB A:ASP149 3.8 5.3 1.0 O A:GLY141 4.0 7.4 1.0 C A:GLY141 4.1 6.3 1.0 CB A:ASP139 4.3 6.2 1.0 O A:ASN92 4.3 6.0 1.0 N A:ALA142 4.3 5.4 1.0 N A:ASP143 4.3 7.8 1.0 CA A:ASP143 4.3 7.4 1.0 CA A:ALA142 4.5 5.8 1.0 N A:TYR185 4.5 5.2 1.0 N A:GLY141 4.6 5.7 1.0 OD1 A:ASP149 4.6 6.7 1.0 CA A:GLY141 4.6 5.9 1.0 CB A:ASN92 4.8 4.7 1.0 O A:HOH754 4.8 6.2 1.0 O A:HOH809 4.8 8.6 1.0 SG A:CYS125 4.9 7.1 1.0 CA A:TYR185 4.9 4.7 1.0 CA A:ASP149 5.0 5.5 1.0

Calcium binding site 2 out of 3 in the Crystal Structure at 1.5A Resolution of the Barley Alpha- Amylase Isozyme 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure at 1.5A Resolution of the Barley Alpha- Amylase Isozyme 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:10.2 occ:1.00 O A:HOH656 2.3 14.0 1.0 OD2 A:ASP118 2.4 9.7 1.0 O A:HOH604 2.4 10.6 1.0 OE2 A:GLU109 2.4 8.6 1.0 O A:ASP114 2.4 13.3 1.0 O A:THR112 2.5 11.2 1.0 OD1 A:ASP118 2.6 9.6 1.0 CG A:ASP118 2.9 11.1 1.0 OE1 A:GLU109 2.9 8.8 1.0 CD A:GLU109 3.0 5.2 1.0 C A:THR112 3.6 11.8 1.0 C A:ASP114 3.6 13.3 1.0 N A:THR112 4.1 9.2 1.0 C A:SER113 4.2 13.8 1.0 N A:GLY110 4.3 6.8 1.0 O A:SER113 4.3 17.0 1.0 OG1 A:THR112 4.3 12.9 1.0 N A:ASP114 4.3 13.0 1.0 CA A:GLY115 4.4 12.5 1.0 CB A:ASP118 4.4 8.3 1.0 O A:HOH1090 4.4 29.3 1.0 O A:ARG116 4.4 10.1 1.0 N A:GLY115 4.5 12.4 1.0 CA A:THR112 4.5 9.1 1.0 CG A:GLU109 4.5 8.6 1.0 O A:HOH843 4.5 16.9 1.0 N A:GLY111 4.5 6.6 1.0 N A:SER113 4.6 14.4 1.0 CA A:SER113 4.6 16.2 1.0 C A:GLY115 4.6 11.8 1.0 CA A:ASP114 4.6 12.6 1.0 O A:HOH1039 4.6 24.1 1.0 O A:HOH724 4.8 12.0 1.0 N A:ARG116 4.8 12.5 1.0 O A:HOH1068 4.9 31.0 1.0 CA A:GLY110 4.9 6.7 1.0 CA A:GLU109 5.0 7.6 1.0

Calcium binding site 3 out of 3 in the Crystal Structure at 1.5A Resolution of the Barley Alpha- Amylase Isozyme 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure at 1.5A Resolution of the Barley Alpha- Amylase Isozyme 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:7.8 occ:1.00 O A:HOH788 2.3 10.6 1.0 O A:PHE144 2.3 8.3 1.0 OD1 A:ASP149 2.3 6.7 1.0 O A:ALA147 2.3 9.4 1.0 OD2 A:ASP128 2.4 8.4 1.0 OD1 A:ASP143 2.4 9.9 1.0 CG A:ASP143 3.1 8.9 1.0 CG A:ASP128 3.2 9.9 1.0 OD2 A:ASP143 3.3 15.5 1.0 C A:PHE144 3.4 8.5 1.0 CG A:ASP149 3.4 6.9 1.0 N A:ASP149 3.5 5.8 1.0 C A:ALA147 3.5 6.6 1.0 OD1 A:ASP128 3.6 10.6 1.0 N A:PHE144 3.8 7.6 1.0 CB A:ASP149 3.9 5.3 1.0 C A:PRO148 3.9 6.4 1.0 CA A:PRO148 4.2 7.4 1.0 CA A:ASP149 4.2 5.5 1.0 CA A:PHE144 4.2 9.2 1.0 N A:PRO148 4.3 6.9 1.0 N A:ALA145 4.3 9.8 1.0 N A:ALA147 4.3 10.4 1.0 CA A:ALA145 4.3 10.8 1.0 O A:ALA145 4.4 13.6 1.0 C A:ALA145 4.4 9.9 1.0 OD2 A:ASP149 4.4 5.8 1.0 CB A:ASP128 4.5 7.9 1.0 CB A:ASP143 4.5 6.7 1.0 CA A:ALA147 4.5 8.7 1.0 O A:HOH1152 4.6 29.6 1.0 O A:HOH809 4.6 8.6 1.0 C A:ASP143 4.7 9.3 1.0 O A:PRO148 4.7 6.8 1.0 CB A:PHE144 4.7 9.6 1.0 CA A:ASP143 4.8 7.4 1.0 CE2 A:TYR131 5.0 12.1 1.0

X.Robert, R.Haser, T.E.Gottschalk, F.Ratajczak, H.Driguez, B.Svensson, N.Aghajari. The Structure of Barley Alpha-Amylase Isozyme 1 Reveals A Novel Role of Domain C in Substrate Recognition and Binding: A Pair of Sugar Tongs Structure V. 11 973 2003.
ISSN: ISSN 0969-2126
PubMed: 12906828
DOI: 10.1016/S0969-2126(03)00151-5