Arsenic in PDB 4ptx: Halothermothrix Orenii Beta-Glucosidase A, Glucose Complex

All present enzymatic activity of Halothermothrix Orenii Beta-Glucosidase A, Glucose Complex:
3.2.1.21;

The structure of Halothermothrix Orenii Beta-Glucosidase A, Glucose Complex, PDB code: 4ptx was solved by N.Hassan, T.H.Nguyen, L.D.Kori, B.K.C.Patel, D.Haltrich, C.Divne, T.C.Tan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.81 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	89.446, 97.878, 109.875, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.5

The binding sites of Arsenic atom in the Halothermothrix Orenii Beta-Glucosidase A, Glucose Complex (pdb code 4ptx). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Halothermothrix Orenii Beta-Glucosidase A, Glucose Complex, PDB code: 4ptx:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Halothermothrix Orenii Beta-Glucosidase A, Glucose Complex


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Halothermothrix Orenii Beta-Glucosidase A, Glucose Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:As502 b:0.3 occ:1.00 AS A:CAC502 0.0 0.3 1.0 O1 A:CAC502 1.7 53.3 1.0 O2 A:CAC502 1.7 40.9 1.0 C1 A:CAC502 2.0 14.2 1.0 C2 A:CAC502 2.0 67.0 1.0 OG A:SER285 4.0 25.9 1.0 OD2 A:ASP282 4.2 39.4 1.0 O A:LYS256 4.3 25.2 1.0 CA A:GLY257 4.5 29.9 1.0 C A:LYS256 4.8 25.6 1.0 CB A:SER285 4.9 20.4 1.0 N A:GLY257 5.0 22.4 1.0

Arsenic binding site 2 out of 2 in the Halothermothrix Orenii Beta-Glucosidase A, Glucose Complex


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Halothermothrix Orenii Beta-Glucosidase A, Glucose Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:As502 b:0.5 occ:1.00 AS B:CAC502 0.0 0.5 1.0 O1 B:CAC502 1.7 54.1 1.0 O2 B:CAC502 1.7 39.0 1.0 C1 B:CAC502 2.0 47.8 1.0 C2 B:CAC502 2.0 35.8 1.0 OG B:SER285 4.0 23.6 1.0 O B:HOH758 4.2 31.8 1.0 O B:LYS256 4.3 30.1 1.0 CA B:GLY257 4.4 27.5 1.0 OD2 B:ASP282 4.5 37.6 1.0 C B:LYS256 4.8 28.6 1.0 N B:GLY257 4.8 26.5 1.0 CB B:SER285 4.9 24.1 1.0

N.Hassan, T.H.Nguyen, M.Intanon, L.D.Kori, B.K.C.Patel, D.Haltrich, C.Divne, T.C.Tan. Biochemical and Structural Characterization of A Thermostable Beta-Glucosidase From Halothermothrix Orenii For Galacto-Oligosaccharide Synthesis. Appl.Microbiol.Biotechnol. 2014.
ISSN: ESSN 1432-0614
PubMed: 25173693
DOI: 10.1007/S00253-014-6015-X