Magnesium in PDB 3ssn: Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg, Sah, and Mycinamycin VI

The structure of Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg, Sah, and Mycinamycin VI, PDB code: 3ssn was solved by D.L.Akey, J.L.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.70 / 2.39
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.113, 142.111, 83.857, 90.00, 105.61, 90.00
R / Rfree (%)	16.5 / 21.8

The binding sites of Magnesium atom in the Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg, Sah, and Mycinamycin VI (pdb code 3ssn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg, Sah, and Mycinamycin VI, PDB code: 3ssn:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg, Sah, and Mycinamycin VI


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg, Sah, and Mycinamycin VI within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:47.2 occ:1.00 O A:HOH510 2.0 43.7 1.0 OD2 A:ASP304 2.0 43.4 1.0 OD1 A:ASP275 2.0 36.4 1.0 OAL A:MVI701 2.1 57.0 1.0 OAM A:MVI701 2.4 55.7 1.0 O A:HOH520 2.4 43.5 1.0 CG A:ASP275 2.9 35.1 1.0 CBM A:MVI701 3.1 57.4 1.0 CG A:ASP304 3.1 41.5 1.0 CBN A:MVI701 3.2 57.5 1.0 OD2 A:ASP275 3.2 35.7 1.0 NE2 A:HIS278 3.4 37.2 1.0 CE1 A:HIS278 3.4 35.6 1.0 OAK A:MVI701 3.5 54.9 1.0 OD1 A:ASP304 3.7 41.9 1.0 OE1 A:GLU303 3.8 38.5 1.0 CBL A:MVI701 3.9 57.1 1.0 CB A:ASP275 4.3 33.5 1.0 CB A:ASP304 4.4 40.7 1.0 CBQ A:MVI701 4.6 58.2 1.0 O A:ASP275 4.6 34.4 1.0 ND1 A:HIS278 4.6 35.9 1.0 CD2 A:HIS278 4.6 36.3 1.0 NE2 A:HIS180 4.6 44.4 1.0 CA A:ASP275 4.8 32.0 1.0 CB A:GLU303 4.9 36.2 1.0 CD A:GLU303 5.0 37.9 1.0 C A:ASP275 5.0 34.9 1.0

Magnesium binding site 2 out of 3 in the Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg, Sah, and Mycinamycin VI


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg, Sah, and Mycinamycin VI within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg501 b:60.2 occ:1.00 O C:HOH525 1.8 65.3 1.0 OD1 C:ASP275 2.1 42.0 1.0 OD2 C:ASP304 2.2 49.3 1.0 O C:HOH528 2.2 52.5 1.0 OAL C:MVI701 2.2 66.3 1.0 OAM C:MVI701 2.8 66.6 1.0 CG C:ASP275 3.0 39.6 1.0 CG C:ASP304 3.2 45.7 1.0 OE1 C:GLU303 3.2 43.0 1.0 OD2 C:ASP275 3.2 40.5 1.0 CBM C:MVI701 3.3 67.3 1.0 CBN C:MVI701 3.4 67.7 1.0 OD1 C:ASP304 3.5 47.9 1.0 OAK C:MVI701 3.8 66.7 1.0 CE1 C:HIS278 4.1 41.3 1.0 NE2 C:HIS278 4.1 40.6 1.0 CBL C:MVI701 4.2 66.8 1.0 NE2 C:HIS180 4.3 46.3 1.0 CB C:ASP275 4.3 37.5 1.0 CD C:GLU303 4.4 40.7 1.0 CB C:ASP304 4.5 43.1 1.0 CD2 C:HIS180 4.6 44.4 1.0 CB C:GLU303 4.8 37.2 1.0 NZ C:LYS175 4.8 44.3 1.0 CA C:ASP275 4.9 37.9 1.0 CBQ C:MVI701 4.9 68.3 1.0 O C:ASP275 4.9 39.4 1.0

Magnesium binding site 3 out of 3 in the Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg, Sah, and Mycinamycin VI


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg, Sah, and Mycinamycin VI within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg501 b:84.7 occ:1.00 OD2 D:ASP304 2.3 62.7 1.0 OD1 D:ASP275 2.5 57.4 1.0 OD2 D:ASP275 3.2 57.3 1.0 CG D:ASP275 3.3 56.3 1.0 CG D:ASP304 3.3 62.3 1.0 OD1 D:ASP304 3.7 64.3 1.0 OE1 D:GLU303 3.7 52.3 1.0 NE2 D:HIS278 4.0 66.7 1.0 CE1 D:HIS278 4.1 64.9 1.0 NE2 D:HIS180 4.2 75.7 1.0 O D:HOH454 4.3 68.4 1.0 CD2 D:HIS180 4.5 70.8 1.0 CB D:ASP304 4.7 59.5 1.0 CB D:ASP275 4.7 54.0 1.0 CG D:PRO174 4.9 82.4 1.0 CD D:GLU303 5.0 51.2 1.0 CE2 D:PHE182 5.0 58.5 1.0

D.L.Akey, S.Li, J.R.Konwerski, L.A.Confer, S.M.Bernard, Y.Anzai, F.Kato, D.H.Sherman, J.L.Smith. A New Structural Form in the Sam/Metal-Dependent O‑Methyltransferase Family: Myce From the Mycinamicin Biosynthetic Pathway. J.Mol.Biol. V. 413 438 2011.
ISSN: ISSN 0022-2836
PubMed: 21884704
DOI: 10.1016/J.JMB.2011.08.040