Magnesium in PDB 3tnq: Structure and Allostery of the Pka Riib Tetrameric Holoenzyme

The structure of Structure and Allostery of the Pka Riib Tetrameric Holoenzyme, PDB code: 3tnq was solved by P.Zhang, E.V.Smith-Nguyen, M.M.Keshwani, M.S.Deal, A.P.Kornev, S.S.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.84 / 3.10
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	153.819, 212.753, 61.951, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 27.5

The binding sites of Magnesium atom in the Structure and Allostery of the Pka Riib Tetrameric Holoenzyme (pdb code 3tnq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure and Allostery of the Pka Riib Tetrameric Holoenzyme, PDB code: 3tnq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure and Allostery of the Pka Riib Tetrameric Holoenzyme


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure and Allostery of the Pka Riib Tetrameric Holoenzyme within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:39.3 occ:1.00 OD1 B:ASN171 2.4 41.0 1.0 O2A B:ADP400 2.4 48.3 1.0 OD1 B:ASP184 2.4 44.1 1.0 O2B B:ADP400 2.4 47.0 1.0 O1P A:SEP112 3.1 38.8 1.0 CG B:ASN171 3.4 37.1 1.0 CG B:ASP184 3.4 40.2 1.0 PB B:ADP400 3.5 50.1 1.0 CB B:ASP184 3.6 39.3 1.0 O3B B:ADP400 3.6 33.0 1.0 PA B:ADP400 3.7 44.2 1.0 ND2 B:ASN171 3.7 36.4 1.0 NZ B:LYS168 3.8 40.9 1.0 O3A B:ADP400 4.0 34.4 1.0 OD2 B:ASP166 4.1 38.5 1.0 MG B:MG401 4.2 30.6 1.0 P A:SEP112 4.4 55.8 1.0 O3P A:SEP112 4.4 48.8 1.0 OD2 B:ASP184 4.6 38.7 1.0 CE B:LYS168 4.6 34.7 1.0 O1A B:ADP400 4.7 48.4 1.0 O5' B:ADP400 4.8 37.8 1.0 CB B:ASN171 4.8 42.6 1.0 O1B B:ADP400 4.8 48.1 1.0 O B:GLU170 4.9 33.2 1.0 C5' B:ADP400 4.9 38.3 1.0

Magnesium binding site 2 out of 2 in the Structure and Allostery of the Pka Riib Tetrameric Holoenzyme


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure and Allostery of the Pka Riib Tetrameric Holoenzyme within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:30.6 occ:1.00 OD1 B:ASP184 2.2 44.1 1.0 O3P A:SEP112 2.3 48.8 1.0 OD2 B:ASP184 2.5 38.7 1.0 O2B B:ADP400 2.5 47.0 1.0 CG B:ASP184 2.7 40.2 1.0 P A:SEP112 3.5 55.8 1.0 O1B B:ADP400 3.6 48.1 1.0 PB B:ADP400 3.6 50.1 1.0 O2P A:SEP112 3.9 37.5 1.0 O1P A:SEP112 3.9 38.8 1.0 NZ B:LYS72 4.0 36.9 1.0 MG B:MG402 4.2 39.3 1.0 CB B:ASP184 4.2 39.3 1.0 CA B:GLY186 4.3 37.7 1.0 OD2 B:ASP166 4.3 38.5 1.0 N B:GLY186 4.5 39.0 1.0 O3A B:ADP400 4.5 34.4 1.0 O3B B:ADP400 4.8 33.0 1.0 O2A B:ADP400 4.8 48.3 1.0 PA B:ADP400 4.9 44.2 1.0 OG A:SEP112 4.9 34.5 1.0 O1A B:ADP400 5.0 48.4 1.0

P.Zhang, E.V.Smith-Nguyen, M.M.Keshwani, M.S.Deal, A.P.Kornev, S.S.Taylor. Structure and Allostery of the Pka Riibeta Tetrameric Holoenzyme Science V. 335 712 2012.
ISSN: ISSN 0036-8075
PubMed: 22323819
DOI: 10.1126/SCIENCE.1213979