Magnesium in PDB 5xkf: Crystal Structure of T2R-Ttl-MPC6827 Complex

The structure of Crystal Structure of T2R-Ttl-MPC6827 Complex, PDB code: 5xkf 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)	39.88 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.617, 158.572, 182.245, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.9

The structure of Crystal Structure of T2R-Ttl-MPC6827 Complex also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of T2R-Ttl-MPC6827 Complex (pdb code 5xkf). 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-MPC6827 Complex, PDB code: 5xkf:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of T2R-Ttl-MPC6827 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-MPC6827 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:32.4 occ:1.00 O1G A:GTP501 1.9 44.0 1.0 O A:HOH603 2.0 42.5 1.0 O A:HOH602 2.1 54.6 1.0 O1B A:GTP501 2.1 40.5 1.0 O B:HOH605 2.4 51.9 1.0 O A:HOH604 2.5 33.6 1.0 PG A:GTP501 3.1 43.9 1.0 PB A:GTP501 3.2 41.9 1.0 O3B A:GTP501 3.4 43.3 1.0 O2G A:GTP501 3.5 44.5 1.0 O3A A:GTP501 3.9 42.2 1.0 OD1 A:ASP69 4.2 55.0 1.0 CB A:GLN11 4.3 45.3 1.0 CB A:ASP98 4.3 63.3 1.0 O3G A:GTP501 4.4 43.5 1.0 OD2 A:ASP69 4.4 56.4 1.0 N A:GLN11 4.5 46.6 1.0 OE1 A:GLU71 4.5 74.4 1.0 O2B A:GTP501 4.6 42.8 1.0 NZ B:LYS252 4.6 49.0 1.0 CG A:ASP98 4.7 65.2 1.0 CG A:ASP69 4.7 56.0 1.0 OG1 A:THR145 4.8 41.2 1.0 O1A A:GTP501 4.8 42.3 1.0 CD A:GLU71 4.8 70.8 1.0 PA A:GTP501 4.9 42.0 1.0 CB A:GLU71 4.9 62.6 1.0 OE1 A:GLN11 5.0 46.8 1.0 CA A:GLN11 5.0 45.8 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of T2R-Ttl-MPC6827 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-MPC6827 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:42.7 occ:1.00 OE1 B:GLN11 2.2 53.9 1.0 O B:HOH606 2.2 61.5 1.0 O1A B:GDP501 2.5 35.2 1.0 O B:HOH608 3.1 43.5 1.0 OD2 B:ASP177 3.3 65.7 1.0 CD B:GLN11 3.4 52.3 1.0 PA B:GDP501 4.0 34.2 1.0 NE2 B:GLN11 4.1 51.9 1.0 CG B:ASP177 4.3 62.6 1.0 OE1 C:GLU254 4.4 63.9 1.0 O3A B:GDP501 4.4 36.3 1.0 O C:HOH608 4.4 58.7 1.0 CG B:GLN11 4.4 49.7 1.0 CB B:GLN11 4.5 47.1 1.0 OD1 B:ASN99 4.5 43.7 1.0 C5' B:GDP501 4.6 35.2 1.0 O5' B:GDP501 4.8 33.2 1.0 C8 B:GDP501 5.0 37.6 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of T2R-Ttl-MPC6827 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-MPC6827 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:32.9 occ:1.00 O1G C:GTP501 2.0 38.2 1.0 O C:HOH603 2.0 61.9 1.0 O C:HOH602 2.1 32.8 1.0 O C:HOH605 2.2 37.1 1.0 O1B C:GTP501 2.2 37.5 1.0 O C:HOH604 2.3 28.1 1.0 PG C:GTP501 3.2 38.2 1.0 PB C:GTP501 3.3 37.8 1.0 O3B C:GTP501 3.5 38.4 1.0 O2G C:GTP501 3.8 38.5 1.0 O3A C:GTP501 3.9 39.7 1.0 NZ D:LYS252 3.9 47.9 1.0 OE1 C:GLU71 4.0 52.2 1.0 CB C:GLN11 4.3 34.6 1.0 OD1 C:ASP69 4.3 41.7 1.0 O3G C:GTP501 4.4 38.6 1.0 N C:GLN11 4.6 34.4 1.0 OD2 C:ASP69 4.6 44.0 1.0 O2B C:GTP501 4.6 37.7 1.0 CB C:ASP98 4.7 59.9 1.0 NE2 C:GLN11 4.7 34.9 1.0 OD2 C:ASP98 4.7 63.8 1.0 O1A C:GTP501 4.8 42.0 1.0 OG1 C:THR145 4.8 36.6 1.0 CE D:LYS252 4.9 47.2 1.0 PA C:GTP501 4.9 41.4 1.0 CG C:ASP69 4.9 43.4 1.0 CG C:ASP98 4.9 63.2 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of T2R-Ttl-MPC6827 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-MPC6827 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg502 b:72.7 occ:1.00 O D:HOH603 2.6 60.3 1.0 O1B D:GTP501 2.9 81.4 1.0 O1G D:GTP501 2.9 88.1 1.0 O2G D:GTP501 3.2 88.4 1.0 PG D:GTP501 3.5 91.2 1.0 OD2 D:ASP67 3.8 85.7 1.0 CB D:GLU69 3.8 0.6 1.0 CB D:GLN11 3.9 82.5 1.0 OD1 D:ASP67 3.9 82.8 1.0 PB D:GTP501 4.1 81.8 1.0 N D:GLN11 4.2 75.9 1.0 O3B D:GTP501 4.2 87.2 1.0 CG D:GLU69 4.2 0.1 1.0 CG D:ASP67 4.3 84.9 1.0 OE1 D:GLU69 4.5 0.2 1.0 CA D:GLN11 4.5 78.5 1.0 O3A D:GTP501 4.6 79.3 1.0 CG2 D:THR72 4.6 0.9 1.0 CD D:GLU69 4.9 0.4 1.0 CG D:GLN11 4.9 86.6 1.0 O3G D:GTP501 4.9 88.6 1.0 O1A D:GTP501 5.0 78.0 1.0

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