Magnesium in PDB 3ug6: Crystal Structure of GET3 From Methanocaldococcus Jannaschii

All present enzymatic activity of Crystal Structure of GET3 From Methanocaldococcus Jannaschii:
3.6.3.16;

The structure of Crystal Structure of GET3 From Methanocaldococcus Jannaschii, PDB code: 3ug6 was solved by C.J.M.Suloway, M.E.Rome, W.M.Clemons Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.86 / 3.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	85.736, 76.874, 127.810, 90.00, 108.83, 90.00
R / Rfree (%)	24.9 / 28.7

The structure of Crystal Structure of GET3 From Methanocaldococcus Jannaschii also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of GET3 From Methanocaldococcus Jannaschii (pdb code 3ug6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of GET3 From Methanocaldococcus Jannaschii, PDB code: 3ug6:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of GET3 From Methanocaldococcus Jannaschii


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 GET3 From Methanocaldococcus Jannaschii within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:0.2 occ:1.00 O2B A:ADP401 1.4 39.6 1.0 OG1 A:THR40 1.6 53.6 1.0 PB A:ADP401 2.7 54.8 1.0 OD1 A:ASP63 2.8 1.0 1.0 CB A:THR40 3.0 64.8 1.0 O1B A:ADP401 3.5 59.5 1.0 O3B A:ADP401 3.6 21.8 1.0 CG A:ASP63 3.8 0.4 1.0 N A:THR40 3.9 64.2 1.0 O3A A:ADP401 3.9 0.3 1.0 OD2 A:ASP63 4.0 0.1 1.0 CA A:THR40 4.0 64.7 1.0 OD1 A:ASP158 4.0 62.7 1.0 CG2 A:THR40 4.0 60.6 1.0 OG A:SER67 4.1 85.9 1.0 OD2 A:ASP158 4.1 75.5 1.0 CE A:LYS39 4.4 68.9 1.0 CB A:LYS39 4.4 54.5 1.0 CG A:ASP158 4.5 69.1 1.0 CB A:SER67 4.8 80.6 1.0 PA A:ADP401 4.8 44.3 1.0 O1A A:ADP401 4.9 56.0 1.0 O2A A:ADP401 4.9 35.2 1.0 C A:LYS39 4.9 64.5 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of GET3 From Methanocaldococcus Jannaschii


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 GET3 From Methanocaldococcus Jannaschii within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:0.0 occ:1.00 O1B B:ADP401 1.3 56.2 1.0 OG1 B:THR40 1.6 50.8 1.0 PB B:ADP401 2.5 57.6 1.0 O2B B:ADP401 2.7 69.1 1.0 OD1 B:ASP63 2.7 0.6 1.0 CB B:THR40 3.0 59.8 1.0 O3A B:ADP401 3.5 0.5 1.0 OG B:SER67 3.6 85.5 1.0 CG B:ASP63 3.7 0.5 1.0 O3B B:ADP401 3.8 6.1 1.0 CG2 B:THR40 3.8 60.6 1.0 OD2 B:ASP63 4.0 0.6 1.0 CA B:THR40 4.1 63.3 1.0 N B:THR40 4.1 63.1 1.0 CB B:SER67 4.3 80.8 1.0 OD2 B:ASP158 4.4 76.8 1.0 OD1 B:ASP158 4.4 65.3 1.0 CE B:LYS39 4.8 68.2 1.0 O1A B:ADP401 4.8 31.9 1.0 PA B:ADP401 4.8 43.1 1.0 CG B:ASP158 4.8 70.3 1.0 CB B:LYS39 4.9 55.4 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of GET3 From Methanocaldococcus Jannaschii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of GET3 From Methanocaldococcus Jannaschii within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg403 b:14.8 occ:1.00 O2B C:ADP401 1.4 31.4 1.0 OG1 C:THR40 1.5 58.7 1.0 PB C:ADP401 2.6 74.4 1.0 OD1 C:ASP63 2.7 0.9 1.0 CB C:THR40 3.0 63.6 1.0 O3B C:ADP401 3.3 78.3 1.0 O1B C:ADP401 3.4 57.2 1.0 CG C:ASP63 3.7 0.1 1.0 OD1 C:ASP158 3.8 69.0 1.0 O3A C:ADP401 3.8 0.1 1.0 N C:THR40 3.8 64.0 1.0 CA C:THR40 3.9 65.0 1.0 OD2 C:ASP158 3.9 77.1 1.0 CG2 C:THR40 3.9 61.0 1.0 OD2 C:ASP63 4.0 0.0 1.0 OG C:SER67 4.0 85.0 1.0 CG C:ASP158 4.2 70.7 1.0 CB C:LYS39 4.4 53.4 1.0 CE C:LYS39 4.6 70.5 1.0 CB C:SER67 4.7 81.4 1.0 O2A C:ADP401 4.7 63.0 1.0 PA C:ADP401 4.8 57.2 1.0 C C:LYS39 4.8 64.3 1.0 O1A C:ADP401 5.0 51.5 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of GET3 From Methanocaldococcus Jannaschii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of GET3 From Methanocaldococcus Jannaschii within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg403 b:0.0 occ:1.00 O2B D:ADP401 1.2 32.0 1.0 OG1 D:THR40 1.6 53.8 1.0 OD1 D:ASP63 2.7 0.8 1.0 PB D:ADP401 2.7 52.2 1.0 CB D:THR40 2.8 61.9 1.0 OG D:SER67 3.4 85.8 1.0 O1B D:ADP401 3.5 66.5 1.0 O3A D:ADP401 3.5 0.8 1.0 CG2 D:THR40 3.7 60.7 1.0 CG D:ASP63 3.7 0.1 1.0 O3B D:ADP401 3.9 45.2 1.0 CA D:THR40 4.0 63.3 1.0 N D:THR40 4.0 63.4 1.0 OD2 D:ASP63 4.0 0.2 1.0 O1A D:ADP401 4.1 63.3 1.0 CB D:SER67 4.1 80.9 1.0 PA D:ADP401 4.3 58.4 1.0 OD2 D:ASP158 4.3 77.5 1.0 O2A D:ADP401 4.4 56.4 1.0 OD1 D:ASP158 4.4 64.2 1.0 CG D:ASP158 4.8 69.9 1.0 CE D:LYS39 4.9 69.1 1.0 CB D:LYS39 5.0 56.3 1.0

C.J.Suloway, M.E.Rome, W.M.Clemons. Tail-Anchor Targeting By A GET3 Tetramer: the Structure of An Archaeal Homologue. Embo J. V. 31 707 2012.
ISSN: ISSN 0261-4189
PubMed: 22124326
DOI: 10.1038/EMBOJ.2011.433