Magnesium in PDB 8huh: Crystal Structure of T2R-Ttl-3A Complex

The structure of Crystal Structure of T2R-Ttl-3A Complex, PDB code: 8huh was solved by Y.X.Wang, J.J.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.89 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.193, 157.879, 182.141, 90, 90, 90
R / Rfree (%)	21.5 / 26.6

The structure of Crystal Structure of T2R-Ttl-3A Complex also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of T2R-Ttl-3A Complex (pdb code 8huh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of T2R-Ttl-3A Complex, PDB code: 8huh:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of T2R-Ttl-3A Complex


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 T2R-Ttl-3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:39.5 occ:1.00 O2G A:GTP501 2.1 40.0 1.0 O2B A:GTP501 2.6 34.3 1.0 PG A:GTP501 3.3 40.8 1.0 OE2 A:GLU71 3.6 75.0 1.0 PB A:GTP501 3.6 36.2 1.0 O3G A:GTP501 3.6 39.0 1.0 CG A:GLU71 3.7 57.0 1.0 O3B A:GTP501 3.8 46.0 1.0 OD1 A:ASP69 3.9 51.5 1.0 OD2 A:ASP69 3.9 56.6 1.0 CD A:GLU71 4.1 60.9 1.0 CB A:ASP98 4.3 52.8 1.0 CB A:GLN11 4.3 40.4 1.0 NZ B:LYS252 4.4 53.9 1.0 CG A:ASP69 4.4 53.5 1.0 O3A A:GTP501 4.5 45.6 1.0 OD2 A:ASP98 4.5 61.1 1.0 CG A:ASP98 4.6 49.3 1.0 O1G A:GTP501 4.6 38.3 1.0 N A:GLN11 4.6 36.4 1.0 OG1 A:THR145 4.7 45.0 1.0 O1B A:GTP501 4.8 41.5 1.0 OE1 A:GLN11 4.9 46.6 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of T2R-Ttl-3A Complex


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 T2R-Ttl-3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:40.5 occ:1.00 OE1 B:GLN11 2.4 46.4 1.0 O2A B:GDP501 2.5 37.2 1.0 OD2 B:ASP177 3.5 55.9 1.0 CD B:GLN11 3.6 48.7 1.0 ND2 B:ASN99 3.7 30.7 1.0 PA B:GDP501 3.8 23.8 1.0 OE1 C:GLU254 4.1 49.2 1.0 O3A B:GDP501 4.2 33.5 1.0 C5' B:GDP501 4.3 27.9 1.0 NE2 B:GLN11 4.4 37.4 1.0 CG B:ASP177 4.4 45.9 1.0 O5' B:GDP501 4.5 22.3 1.0 CB B:GLN11 4.6 32.7 1.0 CG B:ASN99 4.7 32.0 1.0 CG B:GLN11 4.7 43.6 1.0 CD C:GLU254 4.8 39.4 1.0 OD1 B:ASN99 4.8 34.3 1.0 CB B:ASP177 4.8 39.2 1.0 OE2 C:GLU254 4.8 33.5 1.0 O1A B:GDP501 4.9 34.2 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of T2R-Ttl-3A Complex


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 T2R-Ttl-3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:37.8 occ:1.00 O2B C:GTP501 2.2 39.0 1.0 O3G C:GTP501 2.4 34.3 1.0 OE1 C:GLU71 3.3 48.2 1.0 PB C:GTP501 3.5 31.6 1.0 PG C:GTP501 3.6 37.1 1.0 OD2 C:ASP69 3.7 28.5 1.0 O3B C:GTP501 4.1 31.6 1.0 OD1 C:ASP69 4.1 39.1 1.0 O2G C:GTP501 4.1 37.5 1.0 CB C:GLN11 4.1 29.4 1.0 O3A C:GTP501 4.2 37.9 1.0 OD2 C:ASP98 4.3 40.0 1.0 CG C:ASP69 4.3 33.2 1.0 N C:GLN11 4.5 26.9 1.0 CD C:GLU71 4.5 46.1 1.0 CB C:ASP98 4.5 35.1 1.0 NZ D:LYS252 4.6 48.8 1.0 O1B C:GTP501 4.6 31.4 1.0 OE1 C:GLN11 4.6 47.5 1.0 CG C:ASP98 4.7 33.9 1.0 O2A C:GTP501 4.8 36.3 1.0 CB C:GLU71 4.8 37.5 1.0 CA C:GLN11 4.8 30.6 1.0 O1G C:GTP501 4.9 31.9 1.0 CG2 C:VAL74 5.0 38.8 1.0 PA C:GTP501 5.0 38.3 1.0

Y.X.Wang, J.J.Chen. Crystal Structure of T2R-Ttl-3A Complex To Be Published.