Chlorine in PDB 8orp: Crystal Structure of Drosophila Melanogaster Alpha-Amylase in Complex with the Inhibitor Acarbose

All present enzymatic activity of Crystal Structure of Drosophila Melanogaster Alpha-Amylase in Complex with the Inhibitor Acarbose:
3.2.1.1;

The structure of Crystal Structure of Drosophila Melanogaster Alpha-Amylase in Complex with the Inhibitor Acarbose, PDB code: 8orp was solved by N.Aghajari, R.Haser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.57 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.08, 72.54, 98.21, 90, 98.41, 90
R / Rfree (%)	17.4 / 21.2

The structure of Crystal Structure of Drosophila Melanogaster Alpha-Amylase in Complex with the Inhibitor Acarbose also contains other interesting chemical elements:

Strontium

(Sr)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Drosophila Melanogaster Alpha-Amylase in Complex with the Inhibitor Acarbose (pdb code 8orp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Drosophila Melanogaster Alpha-Amylase in Complex with the Inhibitor Acarbose, PDB code: 8orp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Drosophila Melanogaster Alpha-Amylase in Complex with the Inhibitor Acarbose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Drosophila Melanogaster Alpha-Amylase in Complex with the Inhibitor Acarbose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:14.3 occ:1.00 NH2 A:ARG325 3.1 8.0 1.0 O A:HOH684 3.2 11.7 1.0 NE A:ARG184 3.3 12.2 1.0 NH2 A:ARG184 3.3 9.8 1.0 NH1 A:ARG325 3.3 11.0 1.0 ND2 A:ASN286 3.6 10.0 1.0 CZ A:ARG325 3.7 10.1 1.0 CG2 A:THR244 3.7 11.8 1.0 CZ A:ARG184 3.7 14.9 1.0 CG A:GLU223 4.0 14.5 1.0 CZ A:PHE246 4.3 11.7 1.0 CD A:ARG184 4.4 11.5 1.0 CB A:THR244 4.5 14.6 1.0 CB A:ASN286 4.5 10.3 1.0 CG A:ASN286 4.5 15.3 1.0 CB A:GLU223 4.5 15.9 1.0 CG A:ARG184 4.5 12.1 1.0 O A:HOH658 4.7 14.3 1.0 CE2 A:PHE246 4.7 14.2 1.0 CE1 A:HIS287 4.8 13.0 1.0 OG1 A:THR244 5.0 16.1 1.0 NE A:ARG325 5.0 12.1 1.0 CD A:GLU223 5.0 17.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Drosophila Melanogaster Alpha-Amylase in Complex with the Inhibitor Acarbose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Drosophila Melanogaster Alpha-Amylase in Complex with the Inhibitor Acarbose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:14.0 occ:1.00 NH2 B:ARG325 3.2 8.4 1.0 O B:HOH752 3.2 11.8 1.0 NH2 B:ARG184 3.2 13.0 1.0 NE B:ARG184 3.2 13.4 1.0 NH1 B:ARG325 3.4 15.0 1.0 ND2 B:ASN286 3.6 12.3 1.0 CZ B:ARG184 3.7 14.3 1.0 CZ B:ARG325 3.7 15.2 1.0 CG2 B:THR244 3.8 11.7 1.0 CG B:GLU223 4.0 14.7 1.0 CZ B:PHE246 4.3 15.9 1.0 CD B:ARG184 4.4 13.0 1.0 CB B:ASN286 4.5 9.5 1.0 CG B:ASN286 4.5 14.8 1.0 CG B:ARG184 4.5 15.4 1.0 CB B:GLU223 4.5 12.1 1.0 CB B:THR244 4.6 12.8 1.0 CE1 B:PHE246 4.7 13.7 1.0 O B:HOH666 4.7 16.1 1.0 CE1 B:HIS287 4.9 15.2 1.0 CD B:GLU223 4.9 15.1 1.0 OE2 B:GLU223 5.0 16.0 1.0 O B:HOH646 5.0 10.3 1.0 NH1 B:ARG184 5.0 11.2 1.0

M.Rhimi, J.L.Da Lage, R.Haser, G.Feller, N.Aghajari. Structural and Functional Characterization of Drosophila Melanogaster Alpha-Amylase. Molecules V. 28 2023.
ISSN: ESSN 1420-3049
PubMed: 37513201
DOI: 10.3390/MOLECULES28145327