Magnesium in PDB 7cpd: Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex

The structure of Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex, PDB code: 7cpd was solved by H.Jiang, C.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.89 / 2.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.782, 156.552, 182.591, 90, 90, 90
R / Rfree (%)	18.3 / 24

The structure of Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex also contains other interesting chemical elements:

Bromine	(Br)	2 atoms
Calcium	(Ca)	3 atoms

The binding sites of Magnesium atom in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex (pdb code 7cpd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex, PDB code: 7cpd:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 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-(+)-6-Br-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:44.8 occ:1.00 O1B A:GTP501 2.1 30.6 1.0 O A:HOH625 2.1 43.5 1.0 O A:HOH637 2.1 40.8 1.0 O3G A:GTP501 2.1 29.8 1.0 O A:HOH624 2.2 50.1 1.0 O A:HOH604 2.2 43.7 1.0 PB A:GTP501 3.3 33.6 1.0 PG A:GTP501 3.3 39.1 1.0 O3B A:GTP501 3.6 44.2 1.0 O1G A:GTP501 3.7 36.5 1.0 CB A:GLN11 4.0 30.5 1.0 OD2 A:ASP69 4.0 44.2 1.0 OD1 A:ASP69 4.0 37.2 1.0 OE1 A:GLU71 4.0 64.9 1.0 O3A A:GTP501 4.1 41.3 1.0 N A:GLN11 4.3 36.4 1.0 CG A:GLU71 4.3 58.8 1.0 OE1 A:GLN11 4.4 32.5 1.0 O2B A:GTP501 4.4 42.8 1.0 OD2 A:ASP98 4.4 38.7 1.0 CG A:ASP69 4.5 42.7 1.0 O1A A:GTP501 4.5 39.2 1.0 CB A:ASP98 4.6 37.4 1.0 O2G A:GTP501 4.6 28.1 1.0 CD A:GLU71 4.6 65.2 1.0 CA A:GLN11 4.7 38.5 1.0 CG A:ASP98 4.9 42.5 1.0 PA A:GTP501 5.0 32.9 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 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-(+)-6-Br-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:30.7 occ:1.00 O C:HOH671 2.3 34.0 1.0 O2A B:GDP504 2.3 26.1 1.0 NE2 B:GLN11 2.5 35.1 1.0 O B:HOH651 2.7 33.6 1.0 OD2 B:ASP179 3.1 63.3 1.0 H5'' B:GDP504 3.4 28.4 1.0 PA B:GDP504 3.6 53.5 1.0 O3A B:GDP504 3.8 31.1 1.0 CD B:GLN11 3.9 42.9 1.0 H8 B:GDP504 3.9 42.3 1.0 OD1 B:ASN101 4.0 44.8 1.0 CG B:ASP179 4.2 55.1 1.0 C5' B:GDP504 4.2 23.7 1.0 O5' B:GDP504 4.3 17.8 1.0 OE1 C:GLU254 4.3 51.2 1.0 H5' B:GDP504 4.5 28.4 1.0 CB B:GLN11 4.6 29.7 1.0 CG B:GLN11 4.7 36.0 1.0 O1A B:GDP504 4.7 25.4 1.0 OE1 B:GLN11 4.7 46.9 1.0 CB B:ASP179 4.7 35.2 1.0 CG B:ASN101 4.8 36.3 1.0 H2' B:GDP504 4.9 31.1 1.0 ND2 B:ASN101 4.9 33.9 1.0 O3B B:GDP504 4.9 18.9 1.0 CD C:GLU254 4.9 43.3 1.0 C8 B:GDP504 4.9 35.3 1.0 OE2 C:GLU254 4.9 46.7 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 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-(+)-6-Br-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg503 b:26.5 occ:1.00 O2B C:GTP502 1.9 25.3 1.0 O C:HOH614 2.1 29.7 1.0 O C:HOH624 2.1 29.7 1.0 O C:HOH623 2.1 29.7 1.0 O C:HOH604 2.2 31.4 1.0 O3G C:GTP502 2.6 30.2 1.0 PB C:GTP502 3.2 25.0 1.0 OE2 C:GLU71 3.4 45.4 1.0 PG C:GTP502 3.5 25.8 1.0 O3B C:GTP502 3.6 34.8 1.0 O1G C:GTP502 3.7 27.2 1.0 OD2 C:ASP69 3.9 26.2 1.0 CB C:GLN11 4.0 25.6 1.0 OD1 C:ASP69 4.0 27.1 1.0 CG C:GLU71 4.1 39.1 1.0 O3A C:GTP502 4.1 35.2 1.0 N C:GLN11 4.2 24.9 1.0 CD C:GLU71 4.2 43.5 1.0 O1A C:GTP502 4.3 41.5 1.0 O1B C:GTP502 4.3 24.5 1.0 OD2 C:ASP98 4.3 35.1 1.0 CG C:ASP69 4.4 29.7 1.0 OE1 C:GLN11 4.6 33.6 1.0 CB C:ASP98 4.6 27.2 1.0 CA C:GLN11 4.7 25.3 1.0 PA C:GTP502 4.8 25.0 1.0 CG C:ASP98 4.9 37.3 1.0 O2G C:GTP502 4.9 26.0 1.0 OG1 C:THR145 5.0 29.2 1.0

H.Jiang, C.Luo. Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex To Be Published.