Magnesium in PDB 7cbz: Crystal Structure of T2R-Ttl-A31 Complex

The structure of Crystal Structure of T2R-Ttl-A31 Complex, PDB code: 7cbz 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)	19.76 / 2.61
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.805, 156.63, 181.469, 90, 90, 90
R / Rfree (%)	20.6 / 25.5

The structure of Crystal Structure of T2R-Ttl-A31 Complex also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Magnesium atom in the Crystal Structure of T2R-Ttl-A31 Complex (pdb code 7cbz). 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-A31 Complex, PDB code: 7cbz:
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-A31 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-A31 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:48.6 occ:0.00 O1G A:GTP501 2.3 46.1 0.0 O3G A:GTP501 2.3 45.3 0.0 PG A:GTP501 2.8 44.8 0.0 HB2 A:GLN11 3.0 46.6 1.0 HZ1 B:LYS254 3.1 68.8 1.0 O3A A:GTP501 3.2 45.3 0.0 O1B A:GTP501 3.4 45.7 0.0 PB A:GTP501 3.7 44.9 0.0 HD21 B:ASN249 3.7 85.5 1.0 H A:GLN11 3.7 59.5 1.0 O3B A:GTP501 3.7 44.5 0.0 NZ B:LYS254 3.8 57.3 1.0 HZ2 B:LYS254 3.8 68.8 1.0 CB A:GLN11 3.8 38.8 1.0 OE2 A:GLU71 3.8 73.3 1.0 HZ3 B:LYS254 3.9 68.8 1.0 HB3 A:GLN11 3.9 46.6 1.0 O2G A:GTP501 4.0 44.9 0.0 HG3 A:GLU71 4.0 57.1 1.0 HG2 A:GLU71 4.1 57.1 1.0 OE1 A:GLN11 4.1 66.2 1.0 OD2 A:ASP69 4.2 48.4 1.0 OD1 A:ASP69 4.2 51.9 1.0 HB2 A:ASP98 4.4 53.4 1.0 N A:GLN11 4.4 49.6 1.0 OD2 A:ASP98 4.4 48.2 1.0 CG A:GLU71 4.4 47.5 1.0 HG21 A:VAL74 4.4 75.5 1.0 PA A:GTP501 4.5 45.5 0.0 O1A A:GTP501 4.5 46.3 0.0 ND2 B:ASN249 4.5 71.2 1.0 CD A:GLU71 4.6 52.9 1.0 CG A:ASP69 4.6 51.0 1.0 HB3 B:ASN249 4.7 58.1 1.0 CD A:GLN11 4.7 46.4 1.0 CA A:GLN11 4.7 51.1 1.0 HG1 A:THR145 4.7 51.2 1.0 CG A:GLN11 4.8 59.3 1.0 HB3 A:ASP98 4.8 53.4 1.0 HD22 B:ASN249 4.8 85.5 1.0 CB A:ASP98 4.9 44.5 1.0 HA2 A:GLY10 5.0 45.6 1.0 HA A:GLN11 5.0 61.4 1.0 HB A:THR145 5.0 48.3 1.0

Magnesium binding site 2 out of 5 in the Crystal Structure of T2R-Ttl-A31 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-A31 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:50.4 occ:0.00 O1A B:GDP506 2.3 44.4 0.0 OE1 B:GLN11 2.6 63.8 1.0 OD2 B:ASP179 3.2 55.0 1.0 PA B:GDP506 3.6 44.7 0.0 C5' B:GDP506 3.7 45.4 0.0 CD B:GLN11 3.7 51.0 1.0 HD21 B:ASN101 3.8 52.2 1.0 OD1 B:ASN101 3.8 46.8 1.0 H8 B:GDP506 3.8 54.7 0.0 HB3 B:GLN11 4.2 44.0 1.0 O5' B:GDP506 4.2 43.9 0.0 HB3 B:ASP179 4.2 66.7 1.0 CG B:ASP179 4.2 57.4 1.0 HE22 B:GLN11 4.3 73.2 1.0 O3B B:GDP506 4.3 40.7 0.0 O2A B:GDP506 4.3 45.2 0.0 OE1 C:GLU254 4.3 68.0 1.0 ND2 B:ASN101 4.4 43.5 1.0 NE2 B:GLN11 4.5 61.0 1.0 CG B:ASN101 4.5 47.7 1.0 H3' B:GDP506 4.6 55.6 0.0 HB2 B:GLN11 4.6 44.0 1.0 CB B:ASP179 4.6 55.6 1.0 HB2 B:ASP179 4.6 66.7 1.0 CB B:GLN11 4.7 36.6 1.0 OE2 C:GLU254 4.7 64.9 1.0 C8 B:GDP506 4.8 45.6 0.0 CG B:GLN11 4.8 47.5 1.0 CD C:GLU254 4.8 55.1 1.0 O3A B:GDP506 4.9 42.9 0.0

Magnesium binding site 3 out of 5 in the Crystal Structure of T2R-Ttl-A31 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-A31 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:43.0 occ:0.00 O1B C:GTP501 2.3 39.2 0.0 O1G C:GTP501 2.6 41.4 0.0 HB2 C:GLN11 3.0 37.6 1.0 HZ2 D:LYS254 3.3 56.7 1.0 OE2 C:GLU71 3.3 75.7 1.0 PB C:GTP501 3.4 39.2 0.0 HG3 C:GLU71 3.6 51.8 1.0 H C:GLN11 3.7 37.1 1.0 O3A C:GTP501 3.7 40.2 0.0 HG2 C:GLU71 3.7 51.8 1.0 PG C:GTP501 3.8 41.1 0.0 O3B C:GTP501 3.8 40.4 0.0 OD2 C:ASP69 3.9 53.2 1.0 CB C:GLN11 3.9 31.3 1.0 HB3 D:ASN249 3.9 71.3 1.0 NZ D:LYS254 4.0 47.2 1.0 CG C:GLU71 4.0 43.2 1.0 HB3 C:GLN11 4.0 37.6 1.0 HZ1 D:LYS254 4.0 56.7 1.0 OD1 C:ASP69 4.0 43.9 1.0 OE1 C:GLN11 4.1 48.7 1.0 CD C:GLU71 4.1 46.5 1.0 HZ3 D:LYS254 4.1 56.7 1.0 HB2 C:ASP98 4.1 45.4 1.0 N C:GLN11 4.3 30.9 1.0 HG21 C:VAL74 4.3 61.3 1.0 HB2 D:ASN249 4.4 71.3 1.0 CG C:ASP69 4.4 36.7 1.0 OD2 C:ASP98 4.5 40.5 1.0 O2G C:GTP501 4.5 42.5 0.0 HG23 C:VAL74 4.5 61.3 1.0 CB D:ASN249 4.6 59.4 1.0 HB3 C:ASP98 4.6 45.4 1.0 HD21 D:ASN249 4.6 97.3 1.0 O1A C:GTP501 4.7 41.5 0.0 CA C:GLN11 4.7 39.0 1.0 O2B C:GTP501 4.7 38.8 0.0 CB C:ASP98 4.8 37.8 1.0 CD C:GLN11 4.8 45.2 1.0 PA C:GTP501 4.8 40.6 0.0 CG C:GLN11 4.9 35.4 1.0 HA C:GLN11 4.9 46.8 1.0 CG2 C:VAL74 4.9 51.0 1.0 HA2 C:GLY10 4.9 40.4 1.0 O3G C:GTP501 4.9 41.6 0.0 ND2 D:ASN249 4.9 81.0 1.0 HG1 C:THR145 4.9 48.1 1.0

Magnesium binding site 4 out of 5 in the Crystal Structure of T2R-Ttl-A31 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-A31 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg502 b:151.0 occ:0.00 OE2 D:GLU71 1.9 88.2 1.0 O1B D:GDP504 2.3 152.3 0.0 HB2 D:GLN11 2.3 116.9 1.0 CD D:GLU71 2.6 116.6 1.0 OE1 D:GLU71 2.7 130.0 1.0 CB D:GLN11 3.2 97.4 1.0 OE1 D:GLN11 3.3 108.3 1.0 HB3 D:GLN11 3.4 116.9 1.0 H D:GLN11 3.4 85.1 1.0 PB D:GDP504 3.7 154.0 0.0 O1A D:GDP504 3.7 138.6 0.0 N D:GLN11 4.0 70.9 1.0 CG D:GLU71 4.0 108.8 1.0 O3B D:GDP504 4.1 173.7 0.0 CD D:GLN11 4.1 97.9 1.0 CG D:GLN11 4.1 99.7 1.0 CA D:GLN11 4.2 85.9 1.0 HG2 D:GLU71 4.2 130.5 1.0 O3A D:GDP504 4.2 139.4 0.0 HG3 D:GLN11 4.3 119.7 1.0 HG22 D:THR74 4.4 112.3 1.0 HA D:GLN11 4.4 103.1 1.0 HG3 D:GLU71 4.4 130.5 1.0 PA D:GDP504 4.5 127.5 0.0 OD2 D:ASP69 4.5 73.2 1.0 OD1 D:ASP69 4.6 60.6 1.0 HG23 D:THR74 4.7 112.3 1.0 O2B D:GDP504 4.8 129.0 0.0 HA2 D:GLY10 4.9 80.7 1.0 HB3 D:GLU71 4.9 106.2 1.0 HG1 D:THR145 5.0 132.4 1.0 HG2 D:GLN11 5.0 119.7 1.0

Magnesium binding site 5 out of 5 in the Crystal Structure of T2R-Ttl-A31 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-A31 Complex within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg401 b:86.0 occ:0.00 OE1 F:GLU331 2.3 103.5 1.0 O F:VAL332 2.3 83.6 1.0 HB2 F:GLU331 2.6 102.5 1.0 OD1 F:ASN333 2.6 101.3 1.0 C F:VAL332 2.7 75.2 1.0 HA F:ASN333 2.9 81.8 1.0 CG F:ASN333 3.0 100.5 1.0 H F:VAL332 3.0 101.5 1.0 CD F:GLU331 3.1 92.0 1.0 HG3 F:GLU331 3.1 101.1 1.0 N F:ASN333 3.2 73.3 1.0 N F:VAL332 3.3 84.5 1.0 CG F:GLU331 3.3 84.2 1.0 CB F:GLU331 3.4 85.4 1.0 CA F:ASN333 3.4 68.1 1.0 ND2 F:ASN333 3.5 89.8 1.0 HZ3 F:LYS74 3.5 113.3 1.0 HD22 F:ASN333 3.5 107.8 1.0 CA F:VAL332 3.6 84.8 1.0 CB F:ASN333 3.7 79.3 1.0 H F:ASN333 3.8 88.0 1.0 HZ1 F:LYS74 3.8 113.3 1.0 C F:GLU331 3.9 80.3 1.0 O F:CYS72 3.9 79.5 1.0 HD21 F:ASN333 4.0 107.8 1.0 HB3 F:GLU331 4.0 102.5 1.0 NZ F:LYS74 4.1 94.4 1.0 HB2 F:ASN333 4.1 95.2 1.0 HA F:VAL332 4.1 101.8 1.0 OE2 F:GLU331 4.2 95.0 1.0 CA F:GLU331 4.2 82.9 1.0 HG2 F:GLU331 4.3 101.1 1.0 HA F:CYS72 4.3 100.7 1.0 HB3 F:ASN333 4.5 95.2 1.0 HA F:GLU331 4.6 99.5 1.0 HG2 F:LYS74 4.6 103.0 1.0 C F:CYS72 4.6 78.8 1.0 HB F:VAL332 4.7 99.9 1.0 HZ2 F:LYS74 4.7 113.3 1.0 O F:GLU331 4.7 77.1 1.0 HE2 F:LYS74 4.8 125.6 1.0 C F:ASN333 4.8 76.5 1.0 CB F:VAL332 4.8 83.2 1.0 HB3 F:CYS72 4.9 83.3 1.0 CA F:CYS72 5.0 83.9 1.0 H F:GLY334 5.0 91.5 1.0

J.H.Yang, W.Yan. Crystal Structure of T2R-Ttl-A31 Complex To Be Published.