Sodium in PDB 3baw: Human Pancreatic Alpha-Amylase Complexed with Azide

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

The structure of Human Pancreatic Alpha-Amylase Complexed with Azide, PDB code: 3baw was solved by R.Maurus, G.D.Brayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.810, 67.360, 129.730, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 21.4

The structure of Human Pancreatic Alpha-Amylase Complexed with Azide also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Sodium atom in the Human Pancreatic Alpha-Amylase Complexed with Azide (pdb code 3baw). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Human Pancreatic Alpha-Amylase Complexed with Azide, PDB code: 3baw:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Human Pancreatic Alpha-Amylase Complexed with Azide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human Pancreatic Alpha-Amylase Complexed with Azide within 5.0Å range: probe atom residue distance (Å) B Occ A:Na502 b:10.5 occ:1.00 O A:HOH615 2.6 16.5 1.0 O A:HOH736 2.7 17.4 1.0 OE2 A:GLU233 2.7 9.5 1.0 O A:HOH927 2.8 28.3 1.0 OE1 A:GLU233 2.8 9.3 1.0 CD A:GLU233 3.1 9.3 1.0 O A:HOH628 3.2 40.1 1.0 O A:HOH884 3.9 32.4 1.0 OD1 A:ASP197 4.0 7.8 1.0 O A:HOH630 4.1 13.1 1.0 O A:HOH619 4.2 9.2 1.0 NH2 A:ARG195 4.5 3.9 1.0 OD2 A:ASP300 4.6 23.7 1.0 CG A:GLU233 4.6 7.2 1.0 N A:ALA198 4.7 7.5 1.0 CG A:ASP197 4.9 7.9 1.0 CA A:ALA198 4.9 8.0 1.0 O A:HOH837 5.0 29.3 1.0 N1 A:AZI500 5.0 9.9 1.0 CB A:ALA198 5.0 7.3 1.0

Sodium binding site 2 out of 3 in the Human Pancreatic Alpha-Amylase Complexed with Azide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Human Pancreatic Alpha-Amylase Complexed with Azide within 5.0Å range: probe atom residue distance (Å) B Occ A:Na503 b:55.2 occ:1.00 O A:HOH596 3.3 28.8 1.0 O A:THR6 3.3 21.0 1.0 O A:HOH808 3.8 49.8 1.0 O A:HOH878 4.0 55.7 1.0 OE1 A:GLN8 4.2 44.2 1.0 O A:HOH669 4.3 39.6 1.0 NE2 A:GLN8 4.5 43.9 1.0 CD A:GLN8 4.5 42.0 1.0 N A:GLN8 4.5 29.9 1.0 C A:THR6 4.6 21.2 1.0 CA A:GLN8 4.9 31.4 1.0 C A:ASN5 5.0 15.1 1.0 C A:GLN7 5.0 28.2 1.0

Sodium binding site 3 out of 3 in the Human Pancreatic Alpha-Amylase Complexed with Azide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Human Pancreatic Alpha-Amylase Complexed with Azide within 5.0Å range: probe atom residue distance (Å) B Occ A:Na504 b:52.0 occ:1.00 CG A:LYS227 3.3 18.7 1.0 CD A:LYS227 3.7 21.9 1.0 OE A:PCA1 4.5 23.2 1.0 CB A:LYS227 4.5 16.2 1.0 O A:HOH968 4.6 65.7 1.0 O A:HOH824 4.9 57.1 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