Magnesium in PDB 6sj2: Amidohydrolase, Ahs with 3-Haa

The structure of Amidohydrolase, Ahs with 3-Haa, PDB code: 6sj2 was solved by J.H.Naismith, H.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.33 / 1.25
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.810, 118.890, 83.320, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 17.8

The structure of Amidohydrolase, Ahs with 3-Haa also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Amidohydrolase, Ahs with 3-Haa (pdb code 6sj2). 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 Amidohydrolase, Ahs with 3-Haa, PDB code: 6sj2:

Magnesium binding site 1 out of 1 in the Amidohydrolase, Ahs with 3-Haa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Amidohydrolase, Ahs with 3-Haa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:15.3 occ:1.00 O A:HOH965 2.0 19.9 1.0 O A:HOH770 2.1 15.6 1.0 O A:HOH693 4.1 33.7 1.0 O A:HOH799 4.1 15.1 1.0 O B:HOH945 4.2 15.4 1.0 NH1 B:ARG258 4.3 13.9 1.0 O A:SER369 4.3 12.4 0.5 O A:SER369 4.3 12.0 0.5 O A:HOH942 4.4 27.4 1.0 O A:HOH952 4.4 27.8 1.0 O A:HOH962 4.5 32.2 1.0 C A:SER369 4.9 11.7 0.5 C A:SER369 4.9 12.1 0.5 CA A:SER369 4.9 11.7 0.5 CA A:SER369 4.9 12.5 0.5 CZ B:ARG258 5.0 13.2 1.0

H.Song, C.Rao, Z.Deng, Y.Yi, J.H.Naismith. The Biosynthetic Pathway of the Benzoxazole in Nataxazole Proceeds Via An Unstable Ester and Has Synthetic Utility. Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
PubMed: 31903677
DOI: 10.1002/ANIE.201915685