Magnesium in PDB 8z8s: Norbelladine 4'-O-Methyltransferase S52M Y186F Complexed with Mg and Sah

All present enzymatic activity of Norbelladine 4'-O-Methyltransferase S52M Y186F Complexed with Mg and Sah:
2.1.1.336;

The structure of Norbelladine 4'-O-Methyltransferase S52M Y186F Complexed with Mg and Sah, PDB code: 8z8s was solved by Y.Y.H.Saw, Y.Nakashima, H.Morita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.28 / 1.94
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.588, 116.779, 50.079, 90, 90, 90
R / Rfree (%)	23.8 / 26.9

The binding sites of Magnesium atom in the Norbelladine 4'-O-Methyltransferase S52M Y186F Complexed with Mg and Sah (pdb code 8z8s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Norbelladine 4'-O-Methyltransferase S52M Y186F Complexed with Mg and Sah, PDB code: 8z8s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Norbelladine 4'-O-Methyltransferase S52M Y186F Complexed with Mg and Sah


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Norbelladine 4'-O-Methyltransferase S52M Y186F Complexed with Mg and Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:29.2 occ:1.00 OD1 A:ASN182 1.9 38.1 1.0 OD1 A:ASP155 2.0 41.1 1.0 OD2 A:ASP181 2.0 33.6 1.0 O A:HOH429 2.1 31.8 1.0 O A:HOH408 2.1 33.4 1.0 CG A:ASP155 2.7 34.9 1.0 OD2 A:ASP155 2.8 32.2 1.0 CG A:ASN182 3.0 35.5 1.0 CG A:ASP181 3.1 32.9 1.0 ND2 A:ASN182 3.5 36.8 1.0 NZ A:LYS158 3.6 29.0 1.0 CB A:ASP181 3.6 30.9 1.0 O A:HOH468 4.1 36.0 1.0 CB A:ASP155 4.1 32.8 1.0 OD1 A:ASP181 4.1 30.1 1.0 O A:ALA53 4.2 30.0 1.0 CB A:ASN182 4.3 33.1 1.0 CE A:LYS158 4.5 29.3 1.0 C A:ASP181 4.6 25.8 1.0 N A:ASN182 4.7 25.1 1.0 O A:ASP155 4.7 26.2 1.0 CA A:ASP155 4.7 32.9 1.0 CG2 A:VAL55 4.7 27.9 1.0 CA A:ASP181 4.8 30.0 1.0 OH A:TYR161 4.9 25.8 1.0 CB A:SAH302 4.9 28.0 1.0 O A:ASP181 5.0 23.2 1.0

Magnesium binding site 2 out of 2 in the Norbelladine 4'-O-Methyltransferase S52M Y186F Complexed with Mg and Sah


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Norbelladine 4'-O-Methyltransferase S52M Y186F Complexed with Mg and Sah within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:25.6 occ:1.00 OD1 B:ASN182 2.0 33.0 1.0 OD2 B:ASP181 2.0 28.5 1.0 OD1 B:ASP155 2.0 33.2 1.0 O B:HOH414 2.1 31.9 1.0 O B:HOH433 2.1 30.2 1.0 OD2 B:ASP155 2.6 32.0 1.0 CG B:ASP155 2.6 30.0 1.0 CG B:ASP181 3.1 27.2 1.0 CG B:ASN182 3.1 31.3 1.0 CB B:ASP181 3.7 24.0 1.0 ND2 B:ASN182 3.7 30.4 1.0 NZ B:LYS158 3.8 34.4 1.0 O B:HOH468 3.9 36.2 1.0 CB B:ASP155 4.1 28.6 1.0 OD1 B:ASP181 4.2 25.5 1.0 O B:ALA53 4.2 25.4 1.0 CB B:ASN182 4.4 28.8 1.0 CG2 B:VAL55 4.6 25.9 1.0 C B:ASP181 4.7 24.5 1.0 N B:ASN182 4.7 20.3 1.0 CA B:ASP155 4.8 27.1 1.0 CE B:LYS158 4.8 36.4 1.0 CA B:ASP181 4.8 26.1 1.0 O B:ASP155 4.8 28.5 1.0 CB B:SAH302 4.9 25.2 1.0

S.Y.Y.Hnin, Y.Nakashima, T.Kodama, H.Morita. Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases Acs Catalysis 11865 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.4C03305