Calcium in PDB 2qmk: Human Pancreatic Alpha-Amylase Complexed with Nitrite

All present enzymatic activity of Human Pancreatic Alpha-Amylase Complexed with Nitrite:
3.2.1.1;

The structure of Human Pancreatic Alpha-Amylase Complexed with Nitrite, PDB code: 2qmk was solved by L.K.Williams, R.Maurus, G.D.Brayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.29 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.682, 67.599, 129.385, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.8

The binding sites of Calcium atom in the Human Pancreatic Alpha-Amylase Complexed with Nitrite (pdb code 2qmk). 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 Human Pancreatic Alpha-Amylase Complexed with Nitrite, PDB code: 2qmk:

Calcium binding site 1 out of 1 in the Human Pancreatic Alpha-Amylase Complexed with Nitrite


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Pancreatic Alpha-Amylase Complexed with Nitrite within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca498 b:21.6 occ:1.00 O A:ARG158 2.3 21.6 1.0 O A:HIS201 2.3 22.4 1.0 OD2 A:ASP167 2.4 25.8 1.0 O A:HOH736 2.4 32.2 1.0 O A:HOH630 2.4 39.3 1.0 OD1 A:ASN100 2.5 21.5 1.0 OD1 A:ASP167 2.6 24.6 1.0 O A:HOH516 2.7 19.5 1.0 CG A:ASP167 2.8 24.8 1.0 C A:ARG158 3.4 22.2 1.0 C A:HIS201 3.6 23.4 1.0 CG A:ASN100 3.6 22.4 1.0 CA A:ARG158 4.0 20.8 1.0 ND2 A:ASN100 4.1 19.2 1.0 CB A:HIS201 4.2 23.4 1.0 CB A:ASP167 4.3 22.1 1.0 CA A:HIS201 4.4 22.8 1.0 N A:ASP159 4.4 24.0 1.0 ND2 A:ASN137 4.5 26.6 1.0 O A:HOH575 4.5 21.9 1.0 O A:ASN100 4.5 16.8 1.0 N A:MET202 4.5 22.4 1.0 O A:CYS160 4.6 20.2 1.0 O A:VAL157 4.6 24.3 1.0 CA A:MET202 4.7 22.1 1.0 CA A:ASP159 4.8 24.7 1.0 CB A:ARG158 4.8 20.9 1.0 O A:LEU168 4.9 21.8 1.0 CB A:ASN100 4.9 19.5 1.0 O A:HOH512 4.9 22.3 1.0 CG A:MET202 5.0 21.3 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