Chlorine 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:

Calcium	(Ca)	1 atom
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the Human Pancreatic Alpha-Amylase Complexed with Azide (pdb code 3baw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Pancreatic Alpha-Amylase Complexed with Azide, PDB code: 3baw:

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Pancreatic Alpha-Amylase Complexed with Azide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl499 b:9.4 occ:1.00 NE A:ARG195 3.1 5.2 1.0 NH2 A:ARG337 3.2 6.6 1.0 NH1 A:ARG337 3.3 6.0 1.0 O A:HOH606 3.3 6.1 1.0 NH2 A:ARG195 3.3 3.9 1.0 ND2 A:ASN298 3.4 7.2 1.0 CZ A:ARG195 3.6 4.4 1.0 CZ A:ARG337 3.7 6.2 1.0 CG2 A:THR254 3.9 7.0 1.0 CZ A:PHE256 4.0 5.6 1.0 CD A:ARG195 4.2 5.2 1.0 CB A:ASN298 4.3 6.8 1.0 CG A:ASN298 4.3 7.3 1.0 CG A:GLU233 4.3 7.2 1.0 CE2 A:PHE256 4.5 6.1 1.0 CB A:GLU233 4.7 7.0 1.0 CB A:THR254 4.7 7.7 1.0 CZ A:PHE295 4.8 6.3 1.0 O A:HOH619 4.8 9.2 1.0 OE2 A:GLU233 4.8 9.5 1.0 CD A:GLU233 4.9 9.3 1.0 CE1 A:HIS299 4.9 12.3 1.0 CE1 A:PHE256 4.9 4.9 1.0 CG A:ARG195 5.0 7.2 1.0 NH1 A:ARG195 5.0 4.9 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