Magnesium in PDB 4k0b: Crystal Structure of S-Adenosylmethionine Synthetase From Sulfolobus Solfataricus Complexed with Sam and Ppi

All present enzymatic activity of Crystal Structure of S-Adenosylmethionine Synthetase From Sulfolobus Solfataricus Complexed with Sam and Ppi:
2.5.1.6;

The structure of Crystal Structure of S-Adenosylmethionine Synthetase From Sulfolobus Solfataricus Complexed with Sam and Ppi, PDB code: 4k0b was solved by F.Wang, K.A.Hurley, K.E.Helmich, S.Singh, C.A.Bingman, J.S.Thorson, G.N.Phillips Jr., Enzyme Discovery For Natural Product Biosynthesis(Natpro), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.42 / 2.39
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	150.981, 150.981, 222.549, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 19.8

The binding sites of Magnesium atom in the Crystal Structure of S-Adenosylmethionine Synthetase From Sulfolobus Solfataricus Complexed with Sam and Ppi (pdb code 4k0b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of S-Adenosylmethionine Synthetase From Sulfolobus Solfataricus Complexed with Sam and Ppi, PDB code: 4k0b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of S-Adenosylmethionine Synthetase From Sulfolobus Solfataricus Complexed with Sam and Ppi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of S-Adenosylmethionine Synthetase From Sulfolobus Solfataricus Complexed with Sam and Ppi within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:21.1 occ:0.83 O3 B:DPO502 2.0 19.1 0.8 O2 B:PO4503 2.0 26.5 0.8 O6 B:DPO502 2.0 21.3 0.8 OE1 A:GLU305 2.0 33.0 1.0 O A:HOH602 2.1 24.4 1.0 OE2 A:GLU305 2.2 30.3 1.0 CD A:GLU305 2.3 24.3 1.0 P1 B:DPO502 3.1 21.6 0.8 P B:PO4503 3.1 32.6 0.8 P2 B:DPO502 3.2 26.3 0.8 O4 B:DPO502 3.3 33.5 0.8 O3 B:PO4503 3.4 27.1 0.8 O B:HOH601 3.7 24.5 1.0 O4 B:PO4503 3.7 23.7 0.8 O1 B:DPO502 3.8 33.4 0.8 CG A:GLU305 3.8 24.9 1.0 OG A:SER162 4.0 33.7 1.0 O7 B:DPO502 4.1 14.0 0.8 NZ B:LYS25 4.1 22.5 1.0 O B:HOH723 4.2 33.8 1.0 O5 B:DPO502 4.2 20.6 0.8 O2 B:DPO502 4.3 27.1 0.8 CE A:LYS310 4.4 34.2 1.0 O1 B:PO4503 4.4 27.0 0.8 OD2 A:ASP160 4.4 30.0 1.0 CB A:GLU305 4.4 20.2 1.0 CA A:GLU305 4.5 28.3 1.0 MG B:MG501 4.6 20.7 0.8 CE1 A:HIS315 4.7 24.6 1.0 NZ A:LYS310 4.7 29.1 1.0 CB A:SER162 4.7 20.9 1.0 CE B:LYS25 4.8 18.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of S-Adenosylmethionine Synthetase From Sulfolobus Solfataricus Complexed with Sam and Ppi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of S-Adenosylmethionine Synthetase From Sulfolobus Solfataricus Complexed with Sam and Ppi within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:20.7 occ:0.77 O4 B:PO4503 2.0 23.7 0.8 O1 B:DPO502 2.0 33.4 0.8 O B:HOH753 2.0 33.5 1.0 O B:HOH752 2.1 24.7 1.0 OD2 B:ASP31 2.1 21.3 1.0 O7 B:DPO502 2.1 14.0 0.8 CG B:ASP31 3.0 18.6 1.0 OD1 B:ASP31 3.2 20.3 1.0 P2 B:DPO502 3.2 26.3 0.8 P1 B:DPO502 3.3 21.6 0.8 P B:PO4503 3.4 32.6 0.8 O4 B:DPO502 3.5 33.5 0.8 NZ B:LYS25 3.6 22.5 1.0 O6 B:DPO502 3.7 21.3 0.8 O2 B:PO4503 3.9 26.5 0.8 CE1 B:HIS29 4.0 21.9 1.0 O3 B:DPO502 4.1 19.1 0.8 NH2 B:ARG288 4.2 24.1 1.0 O B:ASP283 4.2 25.0 1.0 CE A:LYS63 4.2 25.9 1.0 O3 B:PO4503 4.3 27.1 0.8 NZ A:LYS63 4.3 19.9 1.0 O1 B:PO4503 4.3 27.0 0.8 CB B:ASP31 4.4 20.6 1.0 O2 B:DPO502 4.4 27.1 0.8 OD2 B:ASP282 4.4 29.9 1.0 O5 B:DPO502 4.5 20.6 0.8 O B:ARG288 4.5 45.5 1.0 MG A:MG501 4.6 21.1 0.8 CB B:ARG288 4.7 29.4 1.0 NE B:ARG288 4.7 33.3 1.0 CZ B:ARG288 4.7 29.4 1.0 NE2 B:HIS29 4.8 19.9 1.0 CE B:LYS25 4.8 18.9 1.0

F.Wang, S.Singh, J.Zhang, T.D.Huber, K.E.Helmich, M.Sunkara, K.A.Hurley, R.D.Goff, C.A.Bingman, A.J.Morris, J.S.Thorson, G.N.Phillips. Understanding Molecular Recognition of Promiscuity of Thermophilic Methionine Adenosyltransferase Smat From Sulfolobus Solfataricus. Febs J. V. 281 4224 2014.
ISSN: ISSN 1742-464X
PubMed: 24649856
DOI: 10.1111/FEBS.12784