Magnesium in PDB 5xkg: Crystal Structure of T2R-Ttl-CH1 Complex

The structure of Crystal Structure of T2R-Ttl-CH1 Complex, PDB code: 5xkg 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)	39.68 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.122, 157.656, 181.593, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24

The structure of Crystal Structure of T2R-Ttl-CH1 Complex also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of T2R-Ttl-CH1 Complex (pdb code 5xkg). 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-CH1 Complex, PDB code: 5xkg:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of T2R-Ttl-CH1 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-CH1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:33.8 occ:1.00 O A:HOH638 1.8 31.7 1.0 O1G A:GTP501 2.0 29.1 1.0 O A:HOH650 2.0 36.1 1.0 O A:HOH664 2.1 31.8 1.0 O A:HOH709 2.2 30.1 1.0 O1B A:GTP501 2.3 27.8 1.0 PG A:GTP501 3.2 35.4 1.0 PB A:GTP501 3.4 27.0 1.0 O2G A:GTP501 3.7 37.5 1.0 O3B A:GTP501 3.7 32.5 1.0 OE1 A:GLU71 3.9 57.2 1.0 O3A A:GTP501 4.0 29.0 1.0 O A:HOH712 4.0 36.2 1.0 OD1 A:ASP69 4.0 34.7 1.0 OD2 A:ASP69 4.1 37.2 1.0 CB A:GLN11 4.2 29.5 1.0 CB A:ASP98 4.4 41.2 1.0 OD2 A:ASP98 4.4 44.8 1.0 N A:GLN11 4.4 32.0 1.0 CG A:ASP69 4.5 36.4 1.0 O3G A:GTP501 4.5 32.6 1.0 OE1 A:GLN11 4.6 35.1 1.0 O1A A:GTP501 4.7 25.6 1.0 CG A:ASP98 4.7 45.2 1.0 O2B A:GTP501 4.8 34.1 1.0 CA A:GLN11 4.9 29.6 1.0 PA A:GTP501 4.9 27.5 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of T2R-Ttl-CH1 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-CH1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:27.3 occ:1.00 O B:HOH662 2.2 35.5 1.0 OE1 B:GLN11 2.2 37.0 1.0 O1A B:GDP501 2.2 29.0 1.0 O C:HOH769 2.2 44.4 1.0 O B:HOH609 2.4 39.5 1.0 O B:HOH688 2.5 48.4 1.0 O B:HOH703 3.1 68.7 1.0 CD B:GLN11 3.4 42.2 1.0 PA B:GDP501 3.6 27.3 1.0 O3A B:GDP501 3.9 25.8 1.0 OD2 B:ASP177 3.9 38.4 1.0 CB B:GLN11 4.2 31.4 1.0 CG B:GLN11 4.3 36.4 1.0 O C:HOH701 4.3 49.5 1.0 C5' B:GDP501 4.4 29.4 1.0 O5' B:GDP501 4.4 27.7 1.0 OD1 B:ASN99 4.4 35.0 1.0 NE2 B:GLN11 4.4 40.0 1.0 O1B B:GDP501 4.7 23.2 1.0 O2A B:GDP501 4.7 26.6 1.0 OE1 C:GLU254 4.7 49.3 1.0 C8 B:GDP501 4.7 30.2 1.0 CG B:ASP177 4.8 39.3 1.0 ND2 B:ASN99 5.0 29.5 1.0 PB B:GDP501 5.0 24.9 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of T2R-Ttl-CH1 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-CH1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:28.9 occ:1.00 O1G C:GTP501 2.0 30.2 1.0 O C:HOH612 2.0 23.6 1.0 O C:HOH652 2.0 32.2 1.0 O1B C:GTP501 2.1 25.9 1.0 O C:HOH617 2.1 27.5 1.0 O C:HOH766 2.1 31.8 1.0 PG C:GTP501 3.2 33.3 1.0 PB C:GTP501 3.2 24.9 1.0 O3B C:GTP501 3.6 27.9 1.0 O2G C:GTP501 3.8 36.8 1.0 O3A C:GTP501 3.8 26.2 1.0 OE1 C:GLU71 4.0 50.6 1.0 OD1 C:ASP69 4.0 32.6 1.0 CB C:GLN11 4.1 23.6 1.0 OD2 C:ASP69 4.1 29.0 1.0 NZ D:LYS252 4.2 48.3 1.0 N C:GLN11 4.3 23.9 1.0 OD2 C:ASP98 4.4 45.5 1.0 O3G C:GTP501 4.5 30.4 1.0 CB C:ASP98 4.5 38.3 1.0 CG C:ASP69 4.5 32.0 1.0 O2B C:GTP501 4.5 27.1 1.0 O1A C:GTP501 4.5 26.1 1.0 OE1 C:GLN11 4.6 29.9 1.0 CA C:GLN11 4.8 24.3 1.0 PA C:GTP501 4.8 26.5 1.0 CG C:ASP98 4.8 41.5 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of T2R-Ttl-CH1 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-CH1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg502 b:81.6 occ:1.00 O1G D:GTP501 2.5 64.9 1.0 O1B D:GTP501 2.6 59.8 1.0 PG D:GTP501 3.5 83.2 1.0 O3G D:GTP501 3.6 72.2 1.0 CB D:GLN11 3.6 66.5 1.0 PB D:GTP501 3.8 65.9 1.0 O3B D:GTP501 4.1 68.6 1.0 N D:GLN11 4.2 58.7 1.0 O3A D:GTP501 4.3 66.7 1.0 OE1 D:GLN11 4.3 79.5 1.0 OD2 D:ASP67 4.3 68.5 1.0 CD D:GLN11 4.4 80.8 1.0 O D:HOH616 4.4 56.0 1.0 CA D:GLN11 4.5 59.7 1.0 OE1 D:GLU69 4.5 0.4 1.0 OD1 D:ASP67 4.6 61.2 1.0 O1A D:GTP501 4.6 68.0 1.0 CG D:GLU69 4.6 0.3 1.0 CG D:GLN11 4.6 74.1 1.0 CD D:GLU69 4.7 0.3 1.0 CG D:ASP67 4.9 63.3 1.0 O2G D:GTP501 4.9 63.0 1.0 PA D:GTP501 4.9 64.7 1.0 CB D:GLU69 4.9 92.9 1.0 NE2 D:GLN11 5.0 78.5 1.0

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