Magnesium in PDB 8big: O-Methyltransferase PLU4895 in Complex with Sah

The structure of O-Methyltransferase PLU4895 in Complex with Sah, PDB code: 8big was solved by E.M.Huber, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.06, 95.9, 522.99, 90, 90, 90
R / Rfree (%)	24.2 / 28.8

The structure of O-Methyltransferase PLU4895 in Complex with Sah also contains other interesting chemical elements:

Nickel	(Ni)	4 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Magnesium atom in the O-Methyltransferase PLU4895 in Complex with Sah (pdb code 8big). 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 O-Methyltransferase PLU4895 in Complex with Sah, PDB code: 8big:

Magnesium binding site 1 out of 1 in the O-Methyltransferase PLU4895 in Complex with Sah


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of O-Methyltransferase PLU4895 in Complex with Sah within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg402 b:81.1 occ:1.00 OE1 G:GLU96 3.1 101.5 1.0 OE2 G:GLU96 3.3 102.4 1.0 CD G:GLU96 3.5 101.9 1.0 ND2 G:ASN94 3.7 95.3 1.0 CB G:ASN94 3.7 94.4 1.0 CG G:ASN94 4.0 94.3 1.0 ND2 G:ASN132 4.8 139.3 1.0 OG G:SER95 4.8 99.0 1.0 CD1 G:LEU135 4.9 127.6 1.0 CG G:GLU96 5.0 101.4 1.0

E.M.Huber, L.Kreling, A.K.Heinrich, M.Duennebacke, A.Poethig, H.B.Bode, M.Groll. A Set of Closely Related Methyltransferases For Site-Specific Tailoring of Anthraquinone Pigments Structure 2023.
ISSN: ISSN 0969-2126