Magnesium in PDB 7emj: Crystal Structure of T2R-Ttl-Barbigerone Complex

The structure of Crystal Structure of T2R-Ttl-Barbigerone Complex, PDB code: 7emj was solved by J.H.Yang, W.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.90 / 2.33
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.03, 157.252, 180.606, 90, 90, 90
R / Rfree (%)	19.8 / 24.1

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

Calcium

(Ca)

6 atoms

The binding sites of Magnesium atom in the Crystal Structure of T2R-Ttl-Barbigerone Complex (pdb code 7emj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystal Structure of T2R-Ttl-Barbigerone Complex, PDB code: 7emj:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Crystal Structure of T2R-Ttl-Barbigerone 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-Barbigerone Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:23.2 occ:0.00 O2G A:GTP501 2.0 19.8 0.0 O1B A:GTP501 2.0 18.9 0.0 HZ1 B:LYS254 3.0 28.9 1.0 HB2 A:GLN11 3.1 21.8 1.0 PB A:GTP501 3.1 18.4 0.0 PG A:GTP501 3.3 18.7 0.0 O3A A:GTP501 3.5 18.1 0.0 H A:GLN11 3.6 26.5 1.0 O3B A:GTP501 3.6 18.3 0.0 NZ B:LYS254 3.8 24.1 1.0 O1G A:GTP501 3.9 19.4 0.0 CB A:GLN11 4.0 18.3 1.0 HZ3 B:LYS254 4.0 28.9 1.0 HZ2 B:LYS254 4.0 28.9 1.0 HB2 A:ASP98 4.0 27.7 1.0 HG3 A:GLU71 4.1 39.0 1.0 HB3 A:GLN11 4.1 21.8 1.0 HG2 A:GLU71 4.2 39.0 1.0 OE2 A:GLU71 4.2 37.1 1.0 OE1 A:GLN11 4.3 33.1 1.0 OD1 A:ASP69 4.3 20.2 1.0 N A:GLN11 4.3 22.1 1.0 OD2 A:ASP98 4.3 27.6 1.0 OD2 A:ASP69 4.4 27.6 1.0 O2B A:GTP501 4.4 18.6 0.0 O3G A:GTP501 4.4 18.9 0.0 O1A A:GTP501 4.5 18.5 0.0 CG A:GLU71 4.5 32.4 1.0 HB3 A:ASP98 4.6 27.7 1.0 PA A:GTP501 4.6 18.0 0.0 CB A:ASP98 4.6 23.1 1.0 OD1 B:ASN249 4.7 60.9 1.0 ND2 B:ASN249 4.7 37.1 1.0 CA A:GLN11 4.7 29.9 1.0 HG1 A:THR145 4.7 31.4 1.0 CG B:ASN249 4.7 56.2 1.0 CG A:ASP98 4.8 25.0 1.0 CG A:ASP69 4.8 23.6 1.0 O A:HOH727 4.8 22.1 1.0 CD A:GLN11 4.8 28.1 1.0 HA2 A:GLY10 4.9 23.4 1.0 CD A:GLU71 4.9 31.7 1.0 HB A:THR145 4.9 27.6 1.0 HA A:GLN11 4.9 36.0 1.0 CE B:LYS254 4.9 22.4 1.0 CG A:GLN11 5.0 18.8 1.0 HG21 A:VAL74 5.0 37.1 1.0

Magnesium binding site 2 out of 5 in the Crystal Structure of T2R-Ttl-Barbigerone 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-Barbigerone Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:31.7 occ:0.00 O1A B:GDP506 2.3 26.9 0.0 HE22 B:GLN11 2.9 57.5 1.0 OE1 B:GLN11 3.0 51.0 1.0 CD B:GLN11 3.0 41.7 1.0 NE2 B:GLN11 3.0 47.9 1.0 HB3 B:GLN11 3.4 29.6 1.0 PA B:GDP506 3.5 23.3 0.0 HE21 B:GLN11 3.5 57.5 1.0 H8 B:GDP506 3.6 32.4 0.0 HB2 B:GLN11 3.7 29.6 1.0 O3A B:GDP506 3.7 20.3 0.0 CB B:GLN11 3.9 24.6 1.0 OD2 B:ASP179 3.9 31.9 1.0 CG B:GLN11 4.0 35.0 1.0 O2A B:GDP506 4.3 22.6 0.0 HG2 B:GLN11 4.4 42.1 1.0 C8 B:GDP506 4.5 27.0 0.0 O5' B:GDP506 4.7 21.8 0.0 HG3 B:GLN11 4.7 42.1 1.0 HD21 B:ASN101 4.8 24.8 1.0 O1B B:GDP506 4.8 20.2 0.0 OD1 B:ASN101 4.8 31.2 1.0 CG B:ASP179 4.8 31.9 1.0 N7 B:GDP506 4.8 27.7 0.0 C5' B:GDP506 4.9 23.6 0.0

Magnesium binding site 3 out of 5 in the Crystal Structure of T2R-Ttl-Barbigerone 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-Barbigerone Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:17.0 occ:0.00 O1G C:GTP501 2.0 16.1 0.0 O1B C:GTP501 2.0 15.7 0.0 PB C:GTP501 3.1 15.5 0.0 PG C:GTP501 3.2 15.8 0.0 HZ1 D:LYS254 3.2 19.7 1.0 HB2 C:GLN11 3.3 18.9 1.0 O3B C:GTP501 3.5 15.6 0.0 O3A C:GTP501 3.6 15.5 0.0 H C:GLN11 3.7 18.5 1.0 HB2 C:ASP98 3.7 26.0 1.0 HG3 C:GLU71 3.8 24.7 1.0 O2G C:GTP501 3.8 16.3 0.0 HG2 C:GLU71 3.9 24.7 1.0 OD1 C:ASP69 3.9 18.6 1.0 OD2 C:ASP69 4.0 19.3 1.0 NZ D:LYS254 4.1 16.4 1.0 OE2 C:GLU71 4.2 33.8 1.0 CB C:GLN11 4.2 15.9 1.0 HB3 C:ASP98 4.2 26.0 1.0 HZ2 D:LYS254 4.2 19.7 1.0 HB3 C:GLN11 4.3 18.9 1.0 CG C:GLU71 4.3 20.6 1.0 N C:GLN11 4.4 15.6 1.0 CB C:ASP98 4.4 21.7 1.0 O3G C:GTP501 4.4 15.8 0.0 HZ3 D:LYS254 4.4 19.7 1.0 O2B C:GTP501 4.4 15.2 0.0 CG C:ASP69 4.4 16.3 1.0 OD2 C:ASP98 4.5 31.0 1.0 HG1 C:THR145 4.5 23.9 1.0 O C:HOH626 4.6 18.5 1.0 HA2 C:GLY10 4.7 20.9 1.0 O1A C:GTP501 4.7 16.0 0.0 CG C:ASP98 4.7 20.9 1.0 HB C:THR145 4.7 18.6 1.0 CD C:GLU71 4.8 29.6 1.0 PA C:GTP501 4.8 15.3 0.0 OE1 C:GLN11 4.8 28.4 1.0 CA C:GLN11 4.8 22.7 1.0 OG1 C:THR145 5.0 19.9 1.0 HE3 D:LYS254 5.0 30.8 1.0

Magnesium binding site 4 out of 5 in the Crystal Structure of T2R-Ttl-Barbigerone 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-Barbigerone Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg502 b:41.5 occ:0.00 O2G D:GTP501 2.2 40.3 0.0 O2B D:GTP501 2.6 38.9 0.0 O3G D:GTP501 3.0 43.3 0.0 PG D:GTP501 3.0 41.9 0.0 HB2 D:GLN11 3.2 44.9 1.0 PB D:GTP501 3.5 38.4 0.0 HE21 D:GLN11 3.5 67.2 1.0 O3A D:GTP501 3.6 39.3 0.0 O3B D:GTP501 3.7 39.5 0.0 H D:GLN11 3.9 46.3 1.0 CB D:GLN11 4.1 37.4 1.0 NE2 D:GLN11 4.1 56.0 1.0 HB3 D:GLN11 4.1 44.9 1.0 HB2 D:GLU71 4.1 63.6 1.0 HB3 D:GLU71 4.2 63.6 1.0 HG2 D:GLU71 4.3 68.8 1.0 O1G D:GTP501 4.3 43.5 0.0 HE22 D:GLN11 4.3 67.2 1.0 N D:GLN11 4.6 38.6 1.0 CB D:GLU71 4.6 53.0 1.0 OD2 D:ASP69 4.6 40.7 1.0 O2A D:GTP501 4.7 40.3 0.0 PA D:GTP501 4.7 38.4 0.0 HG1 D:THR145 4.8 47.8 1.0 O D:HOH671 4.8 42.9 1.0 OD1 D:ASP69 4.9 39.5 1.0 O1B D:GTP501 4.9 37.2 0.0 CD D:GLN11 4.9 62.1 1.0 CA D:GLN11 4.9 40.8 1.0 CG D:GLU71 5.0 57.4 1.0

Magnesium binding site 5 out of 5 in the Crystal Structure of T2R-Ttl-Barbigerone Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of T2R-Ttl-Barbigerone Complex within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg402 b:68.0 occ:0.00 HZ2 F:LYS74 2.3 97.6 1.0 O1B F:ACP401 2.4 67.4 0.0 O3G F:ACP401 2.5 66.8 0.0 OE1 F:GLU331 2.5 85.1 1.0 OE2 F:GLU331 2.6 82.3 1.0 HD21 F:ASN333 2.6 94.9 1.0 CD F:GLU331 2.9 75.2 1.0 NZ F:LYS74 3.0 81.3 1.0 HZ1 F:LYS74 3.0 97.6 1.0 HD22 F:ASN333 3.2 94.9 1.0 ND2 F:ASN333 3.2 79.1 1.0 HZ3 F:LYS74 3.3 97.6 1.0 PB F:ACP401 3.6 65.7 0.0 PG F:ACP401 3.9 66.0 0.0 O2B F:ACP401 4.1 65.5 0.0 HE3 F:LYS74 4.2 86.0 1.0 C3B F:ACP401 4.2 66.4 0.0 CE F:LYS74 4.2 71.6 1.0 CG F:GLU331 4.4 67.4 1.0 H3B2 F:ACP401 4.4 79.7 0.0 CG F:ASN333 4.5 81.5 1.0 O1G F:ACP401 4.6 66.2 0.0 HB2 F:ASN333 4.6 69.8 1.0 HG3 F:GLU331 4.6 80.9 1.0 HE2 F:LYS74 4.7 86.0 1.0 HA F:ASN333 4.7 61.1 1.0 HB2 F:GLU331 4.8 88.8 1.0 HA F:SER152 4.8 120.7 1.0 HG2 F:GLU331 4.9 80.9 1.0 O3A F:ACP401 4.9 66.2 0.0 HG3 F:LYS74 5.0 96.3 1.0 CB F:ASN333 5.0 58.1 1.0

J.H.Yang, W.Yan. Crystal Structure of T2R-Ttl-Barbigerone Complex To Be Published.