Calcium in PDB 4w93: Human Pancreatic Alpha-Amylase in Complex with Montbretin A

All present enzymatic activity of Human Pancreatic Alpha-Amylase in Complex with Montbretin A:
3.2.1.1;

The structure of Human Pancreatic Alpha-Amylase in Complex with Montbretin A, PDB code: 4w93 was solved by L.K.Williams, S.Caner, G.D.Brayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.05 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.370, 74.100, 135.880, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 21.1

The structure of Human Pancreatic Alpha-Amylase in Complex with Montbretin A also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Human Pancreatic Alpha-Amylase in Complex with Montbretin A (pdb code 4w93). 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 in Complex with Montbretin A, PDB code: 4w93:

Calcium binding site 1 out of 1 in the Human Pancreatic Alpha-Amylase in Complex with Montbretin A


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 in Complex with Montbretin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:15.1 occ:1.00 O A:ARG158 2.4 16.7 1.0 O A:HOH774 2.4 17.1 1.0 OD1 A:ASN100 2.4 15.3 1.0 O A:HIS201 2.4 15.8 1.0 OD1 A:ASP167 2.5 19.2 1.0 O A:HOH757 2.6 15.5 1.0 O A:HOH794 2.6 16.5 1.0 OD2 A:ASP167 2.6 18.9 1.0 CG A:ASP167 2.9 20.4 1.0 C A:ARG158 3.5 18.8 1.0 CG A:ASN100 3.5 15.2 1.0 C A:HIS201 3.6 13.5 1.0 ND2 A:ASN100 3.9 14.4 1.0 CA A:ARG158 4.1 16.0 1.0 CB A:HIS201 4.3 13.2 1.0 CB A:ASP167 4.4 17.6 1.0 O A:ASN100 4.4 14.3 1.0 CA A:HIS201 4.4 12.4 1.0 O A:HOH848 4.5 23.4 1.0 N A:ASP159 4.5 18.8 1.0 ND2 A:ASN137 4.5 20.6 1.0 N A:MET202 4.6 14.3 1.0 O A:CYS160 4.6 18.3 1.0 O A:VAL157 4.6 16.6 1.0 CA A:MET202 4.7 15.7 1.0 CA A:ASP159 4.8 20.3 1.0 CB A:ASN100 4.8 11.9 1.0 O A:LEU168 4.9 18.0 1.0 CG A:MET202 4.9 15.5 1.0 O A:HOH820 5.0 18.9 1.0

L.K.Williams, X.Zhang, S.Caner, C.Tysoe, N.T.Nguyen, J.Wicki, D.E.Williams, J.Coleman, J.H.Mcneill, V.Yuen, R.J.Andersen, S.G.Withers, G.D.Brayer. The Amylase Inhibitor Montbretin A Reveals A New Glycosidase Inhibition Motif. Nat.Chem.Biol. V. 11 691 2015.
ISSN: ESSN 1552-4469
PubMed: 26214255
DOI: 10.1038/NCHEMBIO.1865