Magnesium in PDB 4din: Novel Localization and Quaternary Structure of the Pka Ri Beta Holoenzyme

All present enzymatic activity of Novel Localization and Quaternary Structure of the Pka Ri Beta Holoenzyme:
2.7.11.11;

The structure of Novel Localization and Quaternary Structure of the Pka Ri Beta Holoenzyme, PDB code: 4din was solved by R.Ilouz, J.Bubis, J.Wu, Y.Y.Yim, M.S.Deal, A.P.Kornev, Y.Ma, D.K.Blumenthal, S.S.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.70
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	172.194, 172.194, 146.646, 90.00, 90.00, 120.00
R / Rfree (%)	21.1 / 29.3

The binding sites of Magnesium atom in the Novel Localization and Quaternary Structure of the Pka Ri Beta Holoenzyme (pdb code 4din). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Novel Localization and Quaternary Structure of the Pka Ri Beta Holoenzyme, PDB code: 4din:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Novel Localization and Quaternary Structure of the Pka Ri Beta Holoenzyme


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Novel Localization and Quaternary Structure of the Pka Ri Beta Holoenzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:0.8 occ:1.00 OD1 A:ASN171 2.0 93.7 1.0 O2A A:ATP400 2.2 0.8 1.0 OD2 A:ASP184 2.6 0.5 1.0 O3G A:ATP400 2.9 0.8 1.0 CG A:ASN171 2.9 93.7 1.0 NZ A:LYS168 3.0 0.2 1.0 O3B A:ATP400 3.1 0.8 1.0 ND2 A:ASN171 3.2 93.7 1.0 CG A:ASP184 3.3 0.5 1.0 PG A:ATP400 3.5 0.8 1.0 PA A:ATP400 3.5 0.8 1.0 O2B A:ATP400 3.6 0.8 1.0 CB A:ASP184 3.7 0.5 1.0 PB A:ATP400 3.8 0.8 1.0 O A:GLU170 3.8 0.8 1.0 MG A:MG402 4.0 0.3 1.0 O1A A:ATP400 4.1 0.8 1.0 O3A A:ATP400 4.1 0.8 1.0 O1G A:ATP400 4.1 0.8 1.0 CE A:LYS168 4.2 0.2 1.0 OD1 A:ASP184 4.3 0.5 1.0 CB A:ASN171 4.3 93.7 1.0 C A:GLU170 4.4 0.8 1.0 CA A:ASN171 4.7 0.9 1.0 CB A:GLU170 4.7 0.4 1.0 O5' A:ATP400 4.7 0.8 1.0 N A:ASN171 4.8 0.9 1.0 OD1 A:ASP166 4.8 0.9 1.0 O3' A:ATP400 4.8 0.8 1.0 O2G A:ATP400 4.8 0.8 1.0

Magnesium binding site 2 out of 2 in the Novel Localization and Quaternary Structure of the Pka Ri Beta Holoenzyme


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Novel Localization and Quaternary Structure of the Pka Ri Beta Holoenzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:0.3 occ:1.00 O3G A:ATP400 2.1 0.8 1.0 O2B A:ATP400 2.2 0.8 1.0 OD1 A:ASP184 2.3 0.5 1.0 OD2 A:ASP184 2.6 0.5 1.0 CG A:ASP184 2.7 0.5 1.0 O2G A:ATP400 2.9 0.8 1.0 PG A:ATP400 2.9 0.8 1.0 OD2 A:ASP166 3.2 0.9 1.0 PB A:ATP400 3.4 0.8 1.0 O3B A:ATP400 3.6 0.8 1.0 CA A:GLY186 3.8 0.3 1.0 O1B A:ATP400 3.9 0.8 1.0 N A:GLY186 3.9 0.3 1.0 MG A:MG401 4.0 0.8 1.0 CB A:ASP184 4.2 0.5 1.0 CG A:ASP166 4.3 0.9 1.0 O1G A:ATP400 4.3 0.8 1.0 NZ A:LYS72 4.4 0.7 1.0 O1A A:ATP400 4.4 0.8 1.0 C A:GLY186 4.6 0.3 1.0 O3A A:ATP400 4.7 0.8 1.0 O2A A:ATP400 4.7 0.8 1.0 OD1 A:ASP166 4.8 0.9 1.0 N A:PHE187 4.9 0.2 1.0 PA A:ATP400 4.9 0.8 1.0 C A:ASP184 4.9 0.6 1.0 O A:ASP184 4.9 0.6 1.0 CE2 A:PHE187 5.0 0.1 1.0 CD1 A:PHE54 5.0 0.1 1.0 CE1 A:PHE54 5.0 0.1 1.0

R.Ilouz, J.Bubis, J.Wu, Y.Y.Yim, M.S.Deal, A.P.Kornev, Y.Ma, D.K.Blumenthal, S.S.Taylor. Localization and Quaternary Structure of the Pka Ri Beta Holoenzyme Proc.Natl.Acad.Sci.Usa V. 109 12443 2012.
ISSN: ISSN 0027-8424
PubMed: 22797896
DOI: 10.1073/PNAS.1209538109