Magnesium in PDB 4x7y: Mycf Mycinamicin III 3'-O-Methyltransferase (E35Q, M56A, E139A Variant) in Complex with Mg and Sah

All present enzymatic activity of Mycf Mycinamicin III 3'-O-Methyltransferase (E35Q, M56A, E139A Variant) in Complex with Mg and Sah:
2.1.1.237;

The structure of Mycf Mycinamicin III 3'-O-Methyltransferase (E35Q, M56A, E139A Variant) in Complex with Mg and Sah, PDB code: 4x7y was solved by S.M.Bernard, J.L.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.386, 89.926, 128.669, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 18.1

The binding sites of Magnesium atom in the Mycf Mycinamicin III 3'-O-Methyltransferase (E35Q, M56A, E139A Variant) in Complex with Mg and Sah (pdb code 4x7y). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Mycf Mycinamicin III 3'-O-Methyltransferase (E35Q, M56A, E139A Variant) in Complex with Mg and Sah, PDB code: 4x7y:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Mycf Mycinamicin III 3'-O-Methyltransferase (E35Q, M56A, E139A Variant) in Complex 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 Mycf Mycinamicin III 3'-O-Methyltransferase (E35Q, M56A, E139A Variant) in Complex with Mg and Sah within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:16.1 occ:1.00 OD1 B:ASP189 2.1 15.0 1.0 OD1 B:ASP217 2.1 17.6 1.0 OD2 B:ASP216 2.1 15.5 1.0 O B:HOH510 2.1 19.1 1.0 O B:HOH484 2.1 18.7 1.0 O B:HOH500 2.1 16.4 1.0 CG B:ASP217 3.1 17.6 1.0 CG B:ASP189 3.1 15.2 1.0 CG B:ASP216 3.1 14.5 1.0 OD2 B:ASP217 3.5 18.3 1.0 OD2 B:ASP189 3.5 15.6 1.0 CB B:ASP216 3.8 14.2 1.0 OD1 B:ASP191 4.0 26.6 1.0 OD1 B:ASP216 4.1 14.5 1.0 O B:HOH471 4.2 17.2 1.0 CB B:ASP217 4.4 16.6 1.0 CB B:ASP189 4.4 15.0 1.0 OD2 B:ASP191 4.5 29.1 1.0 O B:HOH554 4.5 33.3 1.0 C B:ASP216 4.5 14.3 1.0 CG B:ASP191 4.5 24.8 1.0 CA B:ASP189 4.7 15.2 1.0 O B:ASP216 4.7 14.6 1.0 NH2 B:ARG61 4.7 13.6 1.0 O B:ASP189 4.7 16.6 1.0 N B:ASP217 4.7 14.7 1.0 NE2 B:GLN246 4.7 25.1 1.0 C B:ASP189 4.8 16.0 1.0 CA B:ASP216 4.8 14.1 1.0 CA B:ASP217 4.8 15.6 1.0 CB B:SAH302 5.0 15.0 1.0

Magnesium binding site 2 out of 2 in the Mycf Mycinamicin III 3'-O-Methyltransferase (E35Q, M56A, E139A Variant) in Complex 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 Mycf Mycinamicin III 3'-O-Methyltransferase (E35Q, M56A, E139A Variant) in Complex with Mg and Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:16.3 occ:1.00 OD1 A:ASP189 2.0 16.4 1.0 OD1 A:ASP217 2.0 16.7 1.0 OD2 A:ASP216 2.1 16.5 1.0 O A:HOH497 2.1 19.9 1.0 O A:HOH483 2.2 20.1 1.0 O A:HOH479 2.2 16.6 1.0 CG A:ASP189 3.0 15.9 1.0 CG A:ASP217 3.1 16.7 1.0 CG A:ASP216 3.1 15.4 1.0 OD2 A:ASP189 3.4 16.3 1.0 OD2 A:ASP217 3.5 17.5 1.0 CB A:ASP216 3.8 15.3 1.0 OD1 A:ASP191 4.0 29.0 1.0 O A:HOH465 4.1 18.9 1.0 OD1 A:ASP216 4.1 15.9 1.0 CB A:ASP189 4.4 15.4 1.0 CB A:ASP217 4.4 16.2 1.0 OD2 A:ASP191 4.5 28.7 1.0 CG A:ASP191 4.5 25.5 1.0 C A:ASP216 4.5 15.1 1.0 CA A:ASP189 4.6 15.0 1.0 O A:HOH595 4.6 34.7 1.0 O A:ASP216 4.7 15.4 1.0 NH2 A:ARG61 4.7 15.2 1.0 N A:ASP217 4.7 15.0 1.0 O A:ASP189 4.7 15.8 1.0 C A:ASP189 4.8 16.0 1.0 CA A:ASP217 4.8 15.8 1.0 CA A:ASP216 4.8 14.8 1.0 CB A:SAH302 5.0 15.7 1.0

S.M.Bernard, D.L.Akey, A.Tripathi, S.R.Park, J.R.Konwerski, Y.Anzai, S.Li, F.Kato, D.H.Sherman, J.L.Smith. Structural Basis of Substrate Specificity and Regiochemistry in the Mycf/Tylf Family of Sugar O-Methyltransferases. Acs Chem.Biol. 2015.
ISSN: ESSN 1554-8937
PubMed: 25692963
DOI: 10.1021/CB5009348