Magnesium in PDB 4v0n: Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury

The structure of Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury, PDB code: 4v0n was solved by A.Mourao, E.Lorentzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	96.498 / 3.13
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	123.745, 123.745, 443.709, 90.00, 90.00, 120.00
R / Rfree (%)	21.26 / 24.9

The structure of Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury also contains other interesting chemical elements:

Mercury

(Hg)

57 atoms

The binding sites of Magnesium atom in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury (pdb code 4v0n). 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 BBS1N in Complex with ARL6DN, Soaked with Mercury, PDB code: 4v0n:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:58.7 occ:1.00 OG1 A:THR50 1.9 57.5 1.0 O2B A:GTP600 1.9 59.8 1.0 O1G A:GTP600 2.0 64.5 1.0 OG1 A:THR31 2.0 70.0 1.0 PB A:GTP600 3.1 58.0 1.0 O2A A:GTP600 3.1 65.4 1.0 CB A:THR50 3.1 59.0 1.0 PG A:GTP600 3.1 58.8 1.0 CB A:THR31 3.3 69.3 1.0 O3B A:GTP600 3.5 57.8 1.0 O2G A:GTP600 3.6 55.7 1.0 N A:THR50 3.7 60.5 1.0 O3A A:GTP600 3.8 63.6 1.0 N A:THR31 3.8 67.5 1.0 NZ A:LYS30 3.8 57.3 1.0 PA A:GTP600 3.9 70.5 1.0 CA A:THR50 4.0 59.2 1.0 OD1 A:ASP69 4.0 70.8 1.0 CA A:THR31 4.1 71.0 1.0 OD2 A:ASP69 4.2 69.1 1.0 CG2 A:THR50 4.2 62.1 1.0 O1A A:GTP600 4.2 67.6 1.0 O A:ALA48 4.3 77.6 1.0 CG2 A:THR31 4.3 67.8 1.0 O A:MET70 4.3 58.8 1.0 O1B A:GTP600 4.4 59.0 1.0 O3G A:GTP600 4.4 58.6 1.0 CG A:ASP69 4.5 69.4 1.0 CB A:LYS30 4.6 65.3 1.0 CE A:LYS30 4.8 54.2 1.0 C A:PRO49 4.8 61.7 1.0 C A:LYS30 4.9 67.7 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:27.7 occ:1.00 OG1 C:THR31 2.1 32.9 1.0 OG1 C:THR50 2.2 36.6 1.0 O2B C:GTP600 2.3 32.9 1.0 O1G C:GTP600 2.5 34.4 1.0 OD1 C:ASP69 3.0 31.2 1.0 CB C:THR50 3.1 34.2 1.0 PG C:GTP600 3.3 35.2 1.0 O C:MET70 3.3 27.8 1.0 PB C:GTP600 3.4 35.3 1.0 O2G C:GTP600 3.5 27.0 1.0 CB C:THR31 3.5 37.2 1.0 O3B C:GTP600 3.5 35.1 1.0 OD2 C:ASP69 3.6 28.8 1.0 CG C:ASP69 3.7 31.1 1.0 N C:THR31 3.7 35.5 1.0 CE C:LYS30 3.8 27.4 1.0 O1B C:GTP600 3.9 30.2 1.0 CG2 C:THR50 4.0 32.3 1.0 CB C:LYS30 4.1 26.2 1.0 CA C:THR31 4.1 37.0 1.0 CG2 C:THR31 4.3 36.5 1.0 N C:THR50 4.3 32.7 1.0 CA C:THR50 4.3 33.7 1.0 C C:MET70 4.3 29.8 1.0 NZ C:LYS30 4.5 26.6 1.0 O2A C:GTP600 4.5 37.2 1.0 C C:LYS30 4.6 32.4 1.0 CD C:LYS30 4.7 25.0 1.0 O3G C:GTP600 4.7 29.8 1.0 O3A C:GTP600 4.7 31.0 1.0 CA C:SER71 4.8 24.9 1.0 CA C:LYS30 4.8 30.0 1.0 CG C:LYS30 4.9 24.7 1.0 N C:SER71 4.9 28.4 1.0 N C:LYS30 5.0 29.9 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg601 b:31.8 occ:1.00 OG1 E:THR50 1.9 42.7 1.0 OG1 E:THR31 2.1 40.1 1.0 O2B E:GTP600 2.3 39.9 1.0 O1G E:GTP600 2.6 38.0 1.0 CB E:THR50 2.9 42.4 1.0 OD1 E:ASP69 2.9 37.4 1.0 OD2 E:ASP69 3.3 35.7 1.0 CB E:THR31 3.3 45.1 1.0 PG E:GTP600 3.4 37.4 1.0 NZ E:LYS30 3.4 32.2 1.0 PB E:GTP600 3.4 38.0 1.0 CG E:ASP69 3.5 37.5 1.0 O2G E:GTP600 3.5 30.8 1.0 N E:THR31 3.5 44.8 1.0 O3B E:GTP600 3.6 40.0 1.0 CG2 E:THR50 3.7 38.0 1.0 O E:MET70 3.8 31.7 1.0 CA E:THR31 3.8 46.6 1.0 CB E:LYS30 4.0 31.7 1.0 CG2 E:THR31 4.0 47.0 1.0 CA E:THR50 4.1 39.5 1.0 N E:THR50 4.1 37.4 1.0 O1B E:GTP600 4.2 34.0 1.0 C E:LYS30 4.4 39.4 1.0 CE E:LYS30 4.5 29.4 1.0 O3A E:GTP600 4.7 37.2 1.0 O1A E:GTP600 4.7 32.9 1.0 C E:MET70 4.7 33.4 1.0 CA E:LYS30 4.7 33.6 1.0 O3G E:GTP600 4.9 28.6 1.0 CD E:LYS30 4.9 29.3 1.0 N E:LYS30 4.9 33.1 1.0 CB E:ASP69 5.0 32.9 1.0 O2A E:GTP600 5.0 40.6 1.0 CA E:SER71 5.0 29.6 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg601 b:45.5 occ:1.00 OG1 G:THR50 1.7 42.9 1.0 OG1 G:THR31 1.9 46.9 1.0 O1G G:GTP600 1.9 49.8 1.0 O2B G:GTP600 2.2 46.5 1.0 CB G:THR50 2.9 44.1 1.0 CB G:THR31 3.1 48.2 1.0 PG G:GTP600 3.3 44.1 1.0 N G:THR50 3.3 49.5 1.0 PB G:GTP600 3.3 41.2 1.0 O2A G:GTP600 3.5 47.1 1.0 CA G:THR50 3.6 45.9 1.0 O3B G:GTP600 3.7 40.3 1.0 O2G G:GTP600 3.9 43.9 1.0 N G:THR31 3.9 48.4 1.0 O3A G:GTP600 4.0 47.6 1.0 CG2 G:THR31 4.1 49.8 1.0 CA G:THR31 4.1 50.8 1.0 OD1 G:ASP69 4.1 55.5 1.0 CG2 G:THR50 4.1 47.7 1.0 O G:ALA48 4.1 56.6 1.0 OD2 G:ASP69 4.2 56.3 1.0 PA G:GTP600 4.3 47.9 1.0 O G:MET70 4.3 43.2 1.0 O3G G:GTP600 4.4 44.3 1.0 C G:PRO49 4.5 51.2 1.0 CG G:ASP69 4.6 54.4 1.0 O1B G:GTP600 4.6 43.1 1.0 NZ G:LYS30 4.7 41.4 1.0 O1A G:GTP600 4.8 45.6 1.0 CB G:LYS30 4.8 45.1 1.0 CA G:PRO49 4.8 51.3 1.0 C G:THR50 4.9 44.1 1.0

A.Mourao, A.R.Nager, M.V.Nachury, E.Lorentzen. Structural Basis For Membrane Targeting of the Bbsome By ARL6 Nat.Struct.Mol.Biol. 2014.
ISSN: ESSN 1545-9985
DOI: 10.1038/NSMB.2920