Chlorine in PDB 5nn8: Crystal Structure of Human Lysosomal Acid-Alpha-Glucosidase, Gaa, in Complex with Acarbose

All present enzymatic activity of Crystal Structure of Human Lysosomal Acid-Alpha-Glucosidase, Gaa, in Complex with Acarbose:
3.2.1.20;

The structure of Crystal Structure of Human Lysosomal Acid-Alpha-Glucosidase, Gaa, in Complex with Acarbose, PDB code: 5nn8 was solved by V.Roig-Zamboni, B.Cobucci-Ponzano, R.Iacono, M.C.Ferrara, S.Germany, G.Parenti, Y.Bourne, M.Moracci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.55 / 2.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.050, 102.986, 127.597, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 21.2

The binding sites of Chlorine atom in the Crystal Structure of Human Lysosomal Acid-Alpha-Glucosidase, Gaa, in Complex with Acarbose (pdb code 5nn8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human Lysosomal Acid-Alpha-Glucosidase, Gaa, in Complex with Acarbose, PDB code: 5nn8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Human Lysosomal Acid-Alpha-Glucosidase, Gaa, in Complex with 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 Human Lysosomal Acid-Alpha-Glucosidase, Gaa, in Complex with Acarbose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1020 b:49.7 occ:1.00 OG A:SER566 3.6 21.9 1.0 NH1 A:ARG189 3.8 78.7 1.0 CB A:TYR191 4.0 19.9 1.0 NH2 A:ARG189 4.1 74.3 1.0 CA A:TYR191 4.2 20.4 1.0 N A:TYR191 4.2 20.9 1.0 CB A:SER566 4.4 21.6 1.0 ND2 A:ASN570 4.4 17.6 1.0 CZ A:ARG189 4.5 76.5 1.0 O A:HOH1246 4.7 24.0 1.0 C A:ARG190 4.9 22.5 1.0 CD1 A:TYR191 4.9 18.5 1.0 O A:LEU565 4.9 19.9 1.0 CG A:TYR191 5.0 18.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Human Lysosomal Acid-Alpha-Glucosidase, Gaa, in Complex with 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 Human Lysosomal Acid-Alpha-Glucosidase, Gaa, in Complex with Acarbose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1021 b:53.0 occ:1.00 N A:GLN100 3.5 47.6 1.0 OH A:TYR110 4.0 52.8 1.0 CB A:GLN100 4.0 47.8 1.0 CA A:THR99 4.1 44.1 1.0 CB A:THR99 4.2 44.5 1.0 C A:THR99 4.3 42.2 1.0 CA A:GLN100 4.4 47.0 1.0 CZ A:TYR110 4.4 44.9 1.0 CG2 A:THR99 4.9 44.1 1.0 CE2 A:TYR110 4.9 43.5 1.0 CE1 A:TYR110 4.9 42.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Human Lysosomal Acid-Alpha-Glucosidase, Gaa, in Complex with Acarbose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Lysosomal Acid-Alpha-Glucosidase, Gaa, in Complex with Acarbose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1022 b:52.4 occ:1.00 OG A:SER736 3.6 27.1 1.0 NE1 A:TRP804 3.7 35.5 1.0 CB A:SER736 4.1 27.9 1.0 CD1 A:TRP804 4.3 34.5 1.0 O1 A:EDO1035 4.7 56.0 1.0 CA A:SER736 4.8 27.2 1.0 CE2 A:TRP804 4.9 35.5 1.0

V.Roig-Zamboni, B.Cobucci-Ponzano, R.Iacono, M.C.Ferrara, S.Germany, Y.Bourne, G.Parenti, M.Moracci, G.Sulzenbacher. Structure of Human Lysosomal Acid Alpha-Glucosidase-A Guide For the Treatment of Pompe Disease. Nat Commun V. 8 1111 2017.
ISSN: ESSN 2041-1723
PubMed: 29061980
DOI: 10.1038/S41467-017-01263-3