Calcium in PDB 5e0f: Human Pancreatic Alpha-Amylase in Complex with Mini-Montbretin A

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

The structure of Human Pancreatic Alpha-Amylase in Complex with Mini-Montbretin A, PDB code: 5e0f was solved by S.Caner, G.D.Brayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.07 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.320, 73.190, 133.740, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 18.1

The structure of Human Pancreatic Alpha-Amylase in Complex with Mini-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 Mini-Montbretin A (pdb code 5e0f). 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 Mini-Montbretin A, PDB code: 5e0f:

Calcium binding site 1 out of 1 in the Human Pancreatic Alpha-Amylase in Complex with Mini-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 Mini-Montbretin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:11.9 occ:1.00 O A:ARG158 2.4 13.8 1.0 OD1 A:ASN100 2.4 12.7 1.0 O A:HIS201 2.4 11.7 1.0 O A:HOH810 2.5 12.9 1.0 OD1 A:ASP167 2.5 12.5 1.0 OD2 A:ASP167 2.5 13.7 1.0 O A:HOH643 2.5 11.6 1.0 O A:HOH888 2.5 12.9 1.0 CG A:ASP167 2.8 13.5 1.0 CG A:ASN100 3.4 12.2 1.0 HD21 A:ASN100 3.4 14.8 1.0 C A:ARG158 3.5 14.8 1.0 HB3 A:HIS201 3.5 14.4 1.0 C A:HIS201 3.6 10.3 1.0 HA A:ARG158 3.6 17.7 1.0 ND2 A:ASN100 3.8 12.3 1.0 HA A:MET202 4.0 13.2 1.0 HD22 A:ASN137 4.0 17.4 1.0 HG2 A:MET202 4.0 15.5 1.0 CA A:ARG158 4.1 14.7 1.0 HA A:ASP159 4.2 17.7 1.0 CB A:HIS201 4.3 12.0 1.0 O A:ASN100 4.3 10.8 1.0 CB A:ASP167 4.4 15.8 1.0 HD21 A:ASN137 4.4 17.4 1.0 O A:HOH710 4.4 14.8 1.0 CA A:HIS201 4.5 11.9 1.0 N A:ASP159 4.5 12.7 1.0 HB2 A:HIS201 4.5 14.4 1.0 ND2 A:ASN137 4.5 14.5 1.0 N A:MET202 4.6 11.0 1.0 O A:CYS160 4.6 14.2 1.0 HA A:HIS201 4.6 14.3 1.0 O A:VAL157 4.6 12.8 1.0 HD12 A:LEU170 4.7 13.9 1.0 HD22 A:ASN100 4.7 14.8 1.0 CA A:MET202 4.7 11.0 1.0 HB3 A:ARG158 4.7 14.8 1.0 HB3 A:ASP167 4.8 19.0 1.0 CB A:ASN100 4.8 10.0 1.0 HA A:ASP167 4.8 15.7 1.0 CA A:ASP159 4.8 14.8 1.0 HB2 A:ASP167 4.8 19.0 1.0 HA A:ASN100 4.8 14.5 1.0 O A:LEU168 4.9 12.7 1.0 CG A:MET202 4.9 12.9 1.0 O A:HOH680 4.9 13.2 1.0 HG3 A:MET202 4.9 15.5 1.0 HB2 A:ASN100 5.0 12.0 1.0

S.Caner, G.D.Brayer. Human Pancreatic Alpha-Amylase in Complex with Mini-Montbretin A To Be Published.