Magnesium in PDB 9aua: Plp-Dependent Besb Holoenzyme

The structure of Plp-Dependent Besb Holoenzyme, PDB code: 9aua was solved by J.B.Hedges, K.S.Ryan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.08 / 1.29
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	58.64, 58.64, 249.83, 90, 90, 120
R / Rfree (%)	16.7 / 18.4

The binding sites of Magnesium atom in the Plp-Dependent Besb Holoenzyme (pdb code 9aua). 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 Plp-Dependent Besb Holoenzyme, PDB code: 9aua:

Magnesium binding site 1 out of 1 in the Plp-Dependent Besb Holoenzyme


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Plp-Dependent Besb Holoenzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg908 b:20.2 occ:1.00 O A:HOH1264 1.9 25.2 1.0 O A:HOH1281 1.9 19.1 1.0 O A:HOH1054 2.1 21.1 1.0 O A:HOH1361 2.1 19.5 1.0 OD2 A:ASP407 2.2 11.9 0.6 O A:HOH1341 2.3 22.3 1.0 CG A:ASP407 3.3 13.9 0.6 CB A:ASP407 3.9 15.0 0.6 NH1 A:ARG415 3.9 21.0 1.0 OD2 A:ASP437 4.1 24.0 1.0 O A:HOH1045 4.2 26.4 1.0 O A:HOH1125 4.2 40.3 1.0 O A:HOH1311 4.2 23.6 1.0 OD1 A:ASP407 4.3 15.1 0.6 O A:HOH1178 4.3 19.5 1.0 OD2 A:ASP407 4.4 16.5 0.5 CB A:ASP407 4.5 17.2 0.5 OG A:SER409 4.7 20.0 1.0 O A:GLY489 4.8 20.2 1.0 CZ A:ARG415 4.8 21.3 1.0 CG A:ASP437 4.9 20.4 1.0 CG A:ASP407 5.0 13.7 0.5 NH2 A:ARG415 5.0 22.2 1.0

J.B.Hedges, K.S.Ryan. Terminal Alkyne Formation By A Pyridoxal Phosphate-Dependent Enzyme Nat.Chem.Biol. 2025.
ISSN: ESSN 1552-4469
DOI: 10.1038/S41589-025-01954-9