Chlorine in PDB 1smd: Human Salivary Amylase

All present enzymatic activity of Human Salivary Amylase:
3.2.1.1;

The structure of Human Salivary Amylase, PDB code: 1smd was solved by N.Ramasubbu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.200, 75.400, 136.600, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / n/a

The structure of Human Salivary Amylase also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Human Salivary Amylase (pdb code 1smd). 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 Salivary Amylase, PDB code: 1smd:

Chlorine binding site 1 out of 1 in the Human Salivary Amylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Salivary Amylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl498 b:20.5 occ:1.00 NH2 A:ARG195 3.2 17.7 1.0 NE A:ARG195 3.2 14.9 1.0 NH2 A:ARG337 3.3 15.0 1.0 O A:HOH549 3.3 24.3 1.0 ND2 A:ASN298 3.3 16.9 1.0 NH1 A:ARG337 3.4 11.8 1.0 CZ A:ARG195 3.7 16.2 1.0 CZ A:ARG337 3.8 14.4 1.0 CG2 A:THR254 4.0 12.9 1.0 CD A:ARG195 4.3 15.2 1.0 CG A:ASN298 4.3 16.0 1.0 CZ A:PHE256 4.4 18.2 1.0 CG A:GLU233 4.4 18.8 1.0 CB A:ASN298 4.4 15.3 1.0 O A:HOH557 4.6 26.1 1.0 CB A:GLU233 4.6 17.6 1.0 CE1 A:HIS299 4.7 20.1 1.0 CZ A:PHE295 4.8 16.5 1.0 OE2 A:GLU233 4.8 22.6 1.0 CG A:ARG195 4.9 14.6 1.0 CE1 A:PHE295 4.9 15.6 1.0 CE1 A:PHE256 5.0 18.0 1.0 CB A:THR254 5.0 13.8 1.0 NH1 A:ARG195 5.0 15.8 1.0

N.Ramasubbu, V.Paloth, Y.Luo, G.D.Brayer, M.J.Levine. Structure of Human Salivary Alpha-Amylase at 1.6 A Resolution: Implications For Its Role in the Oral Cavity. Acta Crystallogr.,Sect.D V. 52 435 1996.
ISSN: ISSN 0907-4449
PubMed: 15299664
DOI: 10.1107/S0907444995014119