Magnesium in PDB 9byu: Structure and Stability of An Apo Thermophilic Esterase That Hydrolyzes Polyhydroxybutyrate

The structure of Structure and Stability of An Apo Thermophilic Esterase That Hydrolyzes Polyhydroxybutyrate, PDB code: 9byu was solved by G.M.Thomas, S.Quirk, D.J.E.Huard, R.L.Lieberman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.72 / 1.75
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	88.585, 88.585, 49.817, 90, 90, 120
R / Rfree (%)	14.1 / 19.3

The binding sites of Magnesium atom in the Structure and Stability of An Apo Thermophilic Esterase That Hydrolyzes Polyhydroxybutyrate (pdb code 9byu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure and Stability of An Apo Thermophilic Esterase That Hydrolyzes Polyhydroxybutyrate, PDB code: 9byu:

Magnesium binding site 1 out of 1 in the Structure and Stability of An Apo Thermophilic Esterase That Hydrolyzes Polyhydroxybutyrate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure and Stability of An Apo Thermophilic Esterase That Hydrolyzes Polyhydroxybutyrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:37.8 occ:1.00 O A:HOH589 2.2 18.8 1.0 O A:HOH557 2.3 30.2 1.0 OD2 A:ASP233 2.4 19.4 1.0 OD1 A:ASP229 2.6 22.2 1.0 OD1 A:ASP233 2.7 26.2 1.0 O A:GLN231 2.8 12.7 1.0 CG A:ASP233 2.9 23.5 1.0 O A:HOH575 2.9 31.2 1.0 CG A:ASP229 3.5 28.9 1.0 OD2 A:ASP229 3.7 33.2 1.0 O A:LYS252 3.7 23.7 1.0 C A:GLN231 3.9 12.8 1.0 O A:ASP229 4.2 17.3 1.0 O A:HOH545 4.3 35.1 1.0 CB A:GLN231 4.3 19.2 1.0 CB A:ASP233 4.3 14.6 1.0 N A:GLN231 4.4 16.4 1.0 N A:LYS252 4.4 16.7 1.0 CA A:GLN231 4.5 18.6 1.0 N A:ASP233 4.6 11.8 1.0 O A:HOH512 4.6 28.6 1.0 N A:ASP229 4.7 18.6 1.0 C A:ASP229 4.7 16.2 1.0 C A:LYS252 4.7 18.4 1.0 CB A:ASP229 4.8 22.6 1.0 CA A:ASP233 4.9 14.1 1.0 C A:ALA232 4.9 17.0 1.0 CA A:ASP229 5.0 21.0 1.0 CA A:TYR251 5.0 14.5 1.0 N A:ALA232 5.0 12.4 1.0

G.M.Thomas, S.Quirk, R.L.Lieberman. Structure and Stability of An Apo Thermophilic Esterase That Hydrolyzes Polyhydroxybutyrate. Acta Crystallogr D Struct 2024BIOL.
ISSN: ISSN 2059-7983
PubMed: 39441250
DOI: 10.1107/S2059798324009707