Magnesium in PDB 3ssm: Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg and Sah, Crystal Form 1

The structure of Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg and Sah, Crystal Form 1, PDB code: 3ssm 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)	81.52 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.914, 143.407, 84.641, 90.00, 105.60, 90.00
R / Rfree (%)	16.5 / 21

The binding sites of Magnesium atom in the Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg and Sah, Crystal Form 1 (pdb code 3ssm). 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 and Sah, Crystal Form 1, PDB code: 3ssm:
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 and Sah, Crystal Form 1


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 and Sah, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:52.3 occ:1.00 OD2 A:ASP304 2.7 37.6 1.0 OD1 A:ASP275 2.8 31.0 1.0 OE1 A:GLU303 2.9 32.2 1.0 OD2 A:ASP275 3.4 29.2 1.0 CG A:ASP275 3.4 28.6 1.0 O A:HOH701 3.6 40.8 1.0 CG A:ASP304 3.7 35.9 1.0 NE2 A:HIS180 3.9 34.5 1.0 CD2 A:HIS180 4.0 33.2 1.0 CE2 A:PHE182 4.1 25.7 1.0 OD1 A:ASP304 4.1 37.8 1.0 CD A:GLU303 4.2 30.6 1.0 O A:HOH431 4.5 50.8 1.0 CB A:GLU303 4.6 26.7 1.0 O A:HOH538 4.6 52.1 1.0 NE2 A:HIS278 4.8 28.3 1.0 CB A:ASP275 4.8 25.9 1.0 CE1 A:HIS278 4.8 28.0 1.0 CE1 A:HIS180 4.8 33.8 1.0 CB A:ASP304 4.9 32.9 1.0 CZ A:PHE182 4.9 25.1 1.0 NZ A:LYS175 4.9 28.3 1.0 CG A:GLU303 5.0 29.2 1.0 CG A:HIS180 5.0 32.8 1.0 CD2 A:PHE182 5.0 24.3 1.0

Magnesium binding site 2 out of 3 in the Myce Methyltransferase From the Mycinamycin Biosynthetic Pathway in Complex with Mg and Sah, Crystal Form 1


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 and Sah, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg501 b:64.8 occ:1.00 OD1 C:ASP275 2.5 31.4 1.0 O C:HOH713 2.5 69.4 1.0 OD2 C:ASP304 2.5 38.6 1.0 OE1 C:GLU303 2.7 29.0 1.0 CG C:ASP275 3.3 30.6 1.0 CG C:ASP304 3.4 36.5 1.0 OD2 C:ASP275 3.6 29.4 1.0 OD1 C:ASP304 3.7 39.2 1.0 CD C:GLU303 3.9 31.0 1.0 NE2 C:HIS180 3.9 35.2 1.0 CE2 C:PHE182 4.0 29.7 1.0 CD2 C:HIS180 4.2 35.1 1.0 CB C:GLU303 4.2 29.3 1.0 CE1 C:HIS278 4.6 29.7 1.0 NZ C:LYS175 4.6 35.8 1.0 CB C:ASP304 4.6 34.0 1.0 CE1 C:HIS180 4.6 34.8 1.0 CG C:GLU303 4.6 29.2 1.0 CB C:ASP275 4.7 28.5 1.0 NE2 C:HIS278 4.7 29.7 1.0 OE2 C:GLU303 4.8 30.9 1.0 CZ C:PHE182 4.8 28.4 1.0 CD2 C:PHE182 4.9 29.1 1.0 CG C:HIS180 5.0 33.6 1.0

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


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 and Sah, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg501 b:73.7 occ:1.00 OD2 D:ASP304 2.5 55.5 1.0 O D:HOH704 2.5 61.2 1.0 OD1 D:ASP275 2.7 48.1 1.0 OE1 D:GLU303 3.0 45.3 1.0 O D:HOH816 3.3 59.5 1.0 OD2 D:ASP275 3.3 48.5 1.0 CG D:ASP275 3.4 47.0 1.0 CG D:ASP304 3.5 54.0 1.0 OD1 D:ASP304 3.9 55.4 1.0 NE2 D:HIS180 3.9 63.4 1.0 CD D:GLU303 4.2 44.2 1.0 CD2 D:HIS180 4.2 60.9 1.0 CE2 D:PHE182 4.4 45.9 1.0 NE2 D:HIS278 4.5 52.2 1.0 CE1 D:HIS278 4.5 51.3 1.0 CB D:GLU303 4.6 40.2 1.0 CB D:ASP304 4.7 50.7 1.0 CB D:ASP275 4.8 44.7 1.0 CE1 D:HIS180 4.8 62.1 1.0 CG D:GLU303 4.9 42.4 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