Magnesium in PDB 8y8m: Crystal Structure of A Benzaldehyde Lyase Mutant M3 From Herbiconiux Sp. Salv-R1

The structure of Crystal Structure of A Benzaldehyde Lyase Mutant M3 From Herbiconiux Sp. Salv-R1, PDB code: 8y8m was solved by Y.Li, Y.F.Zhang, Y.Y.Chen, W.D.Liu, P.Y.Yao, Q.Q.Wu, D.M.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.43 / 1.98
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	151.02, 151.02, 110.745, 90, 90, 120
R / Rfree (%)	18 / 20.9

The binding sites of Magnesium atom in the Crystal Structure of A Benzaldehyde Lyase Mutant M3 From Herbiconiux Sp. Salv-R1 (pdb code 8y8m). 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 Crystal Structure of A Benzaldehyde Lyase Mutant M3 From Herbiconiux Sp. Salv-R1, PDB code: 8y8m:

Magnesium binding site 1 out of 1 in the Crystal Structure of A Benzaldehyde Lyase Mutant M3 From Herbiconiux Sp. Salv-R1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of A Benzaldehyde Lyase Mutant M3 From Herbiconiux Sp. Salv-R1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg608 b:27.0 occ:1.00 O1B A:TPP607 2.0 33.9 1.0 O1A A:TPP607 2.1 32.9 1.0 OD1 A:ASP444 2.2 37.6 1.0 O A:ALA473 2.3 31.8 1.0 OD1 A:ASN471 2.3 36.7 1.0 O A:HOH731 2.3 32.9 1.0 CG A:ASN471 3.1 36.0 1.0 PB A:TPP607 3.3 39.1 1.0 CG A:ASP444 3.3 34.5 1.0 PA A:TPP607 3.3 34.2 1.0 ND2 A:ASN471 3.4 35.6 1.0 C A:ALA473 3.5 37.0 1.0 O3A A:TPP607 3.5 31.2 1.0 OD2 A:ASP444 3.7 33.1 1.0 N A:GLY475 3.8 35.0 1.0 N A:ASP444 3.8 32.1 1.0 O7 A:TPP607 3.9 31.9 1.0 O3B A:TPP607 3.9 36.1 1.0 N A:ALA473 4.1 32.9 1.0 N A:GLY445 4.1 29.1 1.0 N A:ASN471 4.3 31.3 1.0 CA A:ALA473 4.3 34.0 1.0 CA A:GLY475 4.3 38.4 1.0 N A:TRP474 4.4 37.5 1.0 O A:LEU469 4.4 32.6 1.0 O2B A:TPP607 4.5 37.5 1.0 CB A:ASP444 4.5 29.9 1.0 CB A:ASN471 4.5 30.1 1.0 CA A:TRP474 4.5 34.9 1.0 O2A A:TPP607 4.5 29.7 1.0 CA A:GLY443 4.6 30.2 1.0 CA A:ASP444 4.6 28.7 1.0 C A:TRP474 4.6 35.2 1.0 C A:GLY443 4.6 30.6 1.0 CA A:ASN471 4.8 28.4 1.0 C A:ASP444 4.9 32.5 1.0 CB A:ALA473 4.9 32.8 1.0 C A:ASN471 4.9 31.4 1.0 N A:ARG472 4.9 31.9 1.0

Y.Zhang, Y.Li, Y.Chen, W.Liu, Q.Zhao, J.Feng, P.Yao, Q.Wu, D.Zhu. Manipulating Activity and Chemoselectivity of A Benzaldehyde Lyase For Efficient Synthesis of Alpha-Hydroxymethyl Ketones and One-Pot Enantio-Complementary Conversion to 1,2-Diols Acs Catalysis V. 14 9687 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.4C01804