Magnesium in PDB 5xkh: Crystal Structure of T2R-Ttl-CF1 Complex

The structure of Crystal Structure of T2R-Ttl-CF1 Complex, PDB code: 5xkh was solved by Y.Wang, J.Yang, T.Wang, L.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.515, 158.442, 180.604, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 24

The structure of Crystal Structure of T2R-Ttl-CF1 Complex also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of T2R-Ttl-CF1 Complex (pdb code 5xkh). 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 T2R-Ttl-CF1 Complex, PDB code: 5xkh:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of T2R-Ttl-CF1 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-CF1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:40.4 occ:1.00 O1G A:GTP501 1.8 33.0 1.0 O A:HOH664 1.9 39.6 1.0 O A:HOH625 2.1 40.7 1.0 O A:HOH626 2.1 33.5 1.0 O A:HOH658 2.1 31.3 1.0 O1B A:GTP501 2.3 31.5 1.0 PG A:GTP501 3.0 40.6 1.0 PB A:GTP501 3.3 28.8 1.0 O3B A:GTP501 3.5 36.0 1.0 O2G A:GTP501 3.5 43.4 1.0 O3A A:GTP501 3.9 32.9 1.0 OE1 A:GLU71 4.0 50.4 1.0 OD1 A:ASP69 4.1 36.7 1.0 CB A:GLN11 4.2 34.4 1.0 OD2 A:ASP98 4.2 48.2 1.0 O3G A:GTP501 4.3 34.7 1.0 OD2 A:ASP69 4.3 39.1 1.0 N A:GLN11 4.5 35.3 1.0 CB A:ASP98 4.5 45.6 1.0 CG A:ASP98 4.6 49.3 1.0 O A:HOH656 4.6 50.3 1.0 CG A:ASP69 4.7 38.5 1.0 O2B A:GTP501 4.7 34.4 1.0 NZ B:LYS252 4.8 52.6 1.0 OE1 A:GLN11 4.8 41.1 1.0 O1A A:GTP501 4.8 32.2 1.0 PA A:GTP501 4.9 31.9 1.0 CA A:GLN11 4.9 35.8 1.0 OG1 A:THR145 5.0 40.4 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of T2R-Ttl-CF1 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-CF1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:29.0 occ:1.00 O B:HOH654 2.1 42.6 1.0 OE1 B:GLN11 2.2 39.4 1.0 O1A B:GDP501 2.2 32.1 1.0 O C:HOH735 2.3 45.8 1.0 O B:HOH601 2.4 42.0 1.0 O B:HOH683 2.5 39.8 1.0 CD B:GLN11 3.4 45.1 1.0 PA B:GDP501 3.6 27.6 1.0 OD2 B:ASP177 3.7 45.5 1.0 O3A B:GDP501 3.8 29.8 1.0 CB B:GLN11 4.2 34.1 1.0 CG B:GLN11 4.2 39.7 1.0 OD1 B:ASN99 4.3 31.7 1.0 C5' B:GDP501 4.4 30.4 1.0 O5' B:GDP501 4.4 29.8 1.0 NE2 B:GLN11 4.4 41.4 1.0 O1B B:GDP501 4.7 26.2 1.0 CG B:ASP177 4.7 46.9 1.0 O2A B:GDP501 4.7 28.9 1.0 OE1 C:GLU254 4.8 48.9 1.0 O C:HOH660 4.8 47.2 1.0 C8 B:GDP501 4.8 31.1 1.0 PB B:GDP501 4.9 28.4 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of T2R-Ttl-CF1 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-CF1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:32.6 occ:1.00 O1G C:GTP501 2.0 33.6 1.0 O C:HOH614 2.1 27.6 1.0 O C:HOH662 2.1 32.0 1.0 O1B C:GTP501 2.1 28.5 1.0 O C:HOH633 2.1 29.0 1.0 O C:HOH738 2.2 33.3 1.0 PG C:GTP501 3.1 34.9 1.0 PB C:GTP501 3.2 25.6 1.0 O3B C:GTP501 3.5 30.6 1.0 O2G C:GTP501 3.5 40.7 1.0 O3A C:GTP501 3.8 27.3 1.0 OD1 C:ASP69 4.0 31.7 1.0 OE1 C:GLU71 4.0 52.8 1.0 NZ D:LYS252 4.1 42.4 1.0 CB C:GLN11 4.1 25.5 1.0 OD2 C:ASP69 4.2 30.2 1.0 N C:GLN11 4.3 26.5 1.0 OD2 C:ASP98 4.3 42.7 1.0 O3G C:GTP501 4.5 33.4 1.0 O2B C:GTP501 4.5 29.9 1.0 CB C:ASP98 4.5 39.5 1.0 CG C:ASP69 4.6 32.1 1.0 NE2 C:GLN11 4.6 30.4 1.0 O1A C:GTP501 4.6 27.8 1.0 PA C:GTP501 4.8 29.0 1.0 CG C:ASP98 4.8 41.7 1.0 CA C:GLN11 4.8 26.5 1.0 O C:HOH607 4.9 46.9 1.0 OG1 C:THR145 5.0 30.3 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of T2R-Ttl-CF1 Complex


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 T2R-Ttl-CF1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg502 b:82.2 occ:1.00 O D:HOH609 2.3 65.8 1.0 O D:HOH615 2.8 59.9 1.0 O1G D:GTP501 3.1 69.3 1.0 O1B D:GTP501 3.1 65.0 1.0 CB D:GLN11 3.6 67.2 1.0 NE2 D:GLN11 3.8 80.1 1.0 CG2 D:THR72 4.2 98.0 1.0 CD D:GLN11 4.3 81.6 1.0 OD2 D:ASP67 4.3 57.0 1.0 PB D:GTP501 4.4 65.5 1.0 N D:GLN11 4.4 64.1 1.0 CG D:GLN11 4.4 73.0 1.0 PG D:GTP501 4.4 78.5 1.0 CB D:GLU69 4.4 85.6 1.0 CA D:GLN11 4.4 65.4 1.0 OE1 D:GLU69 4.5 96.0 1.0 O3A D:GTP501 4.6 63.9 1.0 O1A D:GTP501 4.6 66.8 1.0 OD1 D:ASP67 4.7 61.0 1.0 CG D:GLU69 4.7 91.5 1.0 O D:HOH613 4.8 58.3 1.0 O3B D:GTP501 4.9 66.2 1.0 O3G D:GTP501 4.9 69.0 1.0 CD D:GLU69 4.9 97.6 1.0 CG D:ASP67 4.9 58.5 1.0

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