Calcium in PDB 3bay: N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose

All present enzymatic activity of N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose:
3.2.1.1;

The structure of N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose, PDB code: 3bay was solved by J.R.Fredriksen, R.Maurus, G.D.Brayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.76 / 1.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.227, 68.889, 131.191, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22.3

The binding sites of Calcium atom in the N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose (pdb code 3bay). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose, PDB code: 3bay:

Calcium binding site 1 out of 1 in the N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca498 b:24.3 occ:1.00 O A:HIS201 2.3 26.4 1.0 O A:HOH556 2.4 34.4 1.0 OD1 A:ASN100 2.4 26.7 1.0 O A:ARG158 2.4 28.9 1.0 OD2 A:ASP167 2.4 29.5 1.0 OD1 A:ASP167 2.5 29.4 1.0 CG A:ASP167 2.8 28.6 1.0 C A:HIS201 3.5 26.4 1.0 CG A:ASN100 3.5 29.0 1.0 C A:ARG158 3.6 27.7 1.0 CB A:HIS201 4.1 27.9 1.0 ND2 A:ASN100 4.1 27.2 1.0 CA A:ARG158 4.2 29.1 1.0 CB A:ASP167 4.3 27.4 1.0 CA A:HIS201 4.3 27.7 1.0 O A:ASN100 4.4 29.7 1.0 N A:MET202 4.5 26.1 1.0 O A:CYS160 4.5 30.3 1.0 CA A:MET202 4.6 25.7 1.0 ND2 A:ASN137 4.6 31.6 1.0 O A:HOH550 4.7 29.6 1.0 N A:ASP159 4.7 29.7 1.0 CG A:MET202 4.7 26.7 1.0 O A:LEU168 4.8 26.3 1.0 CB A:ASN100 4.8 27.1 1.0 O A:VAL157 4.8 29.4 1.0 O A:HOH505 4.9 25.0 1.0 CA A:ASP159 4.9 30.9 1.0

R.Maurus, A.Begum, L.K.Williams, J.R.Fredriksen, R.Zhang, S.G.Withers, G.D.Brayer. Alternative Catalytic Anions Differentially Modulate Human Alpha-Amylase Activity and Specificity Biochemistry V. 47 3332 2008.
ISSN: ISSN 0006-2960
PubMed: 18284212
DOI: 10.1021/BI701652T