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

The structure of Crystal Structure of T2R-Ttl-(+)-6-Cl-JP18 Complex, PDB code: 7cpq 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)	49.90 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.877, 156.616, 182.624, 90, 90, 90
R / Rfree (%)	22 / 26.7

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

Calcium	(Ca)	3 atoms
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of T2R-Ttl-(+)-6-Cl-JP18 Complex (pdb code 7cpq). 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-(+)-6-Cl-JP18 Complex, PDB code: 7cpq:
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-(+)-6-Cl-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-Cl-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:35.6 occ:1.00 O2G A:GTP501 2.1 34.5 1.0 O1B A:GTP501 2.3 35.8 1.0 PG A:GTP501 3.2 37.5 1.0 O3G A:GTP501 3.5 36.5 1.0 PB A:GTP501 3.5 35.4 1.0 O3B A:GTP501 3.7 35.1 1.0 OD2 A:ASP69 3.8 44.6 1.0 OD1 A:ASP69 3.9 38.8 1.0 CB A:GLN11 4.2 36.3 1.0 CG A:ASP69 4.3 38.9 1.0 CB A:ASP98 4.3 35.7 1.0 O3A A:GTP501 4.4 34.6 1.0 OD2 A:ASP98 4.4 46.5 1.0 OE1 A:GLN11 4.5 35.3 1.0 N A:GLN11 4.5 37.3 1.0 O1G A:GTP501 4.6 34.0 1.0 CG A:ASP98 4.6 35.5 1.0 O2B A:GTP501 4.7 36.2 1.0 CA A:GLN11 4.9 37.2 1.0

Magnesium binding site 2 out of 5 in the Crystal Structure of T2R-Ttl-(+)-6-Cl-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-Cl-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:25.4 occ:1.00 NE2 B:GLN11 2.2 26.1 1.0 O2A B:GDP502 2.4 25.4 1.0 O C:HOH618 2.4 38.4 1.0 O B:HOH615 2.7 38.4 1.0 OD2 B:ASP179 3.2 31.1 1.0 CD B:GLN11 3.5 26.6 1.0 PA B:GDP502 3.5 25.1 1.0 O5' B:GDP502 3.6 24.8 1.0 H8 B:GDP502 3.7 30.6 1.0 O3A B:GDP502 4.0 25.1 1.0 ND2 B:ASN101 4.1 24.6 1.0 CG B:ASP179 4.2 28.6 1.0 H5'' B:GDP502 4.3 29.5 1.0 OE1 B:GLN11 4.3 37.6 1.0 CB B:GLN11 4.3 26.5 1.0 CG B:GLN11 4.3 26.7 1.0 OE1 C:GLU254 4.4 29.7 1.0 C5' B:GDP502 4.5 24.6 1.0 C8 B:GDP502 4.7 25.5 1.0 O1A B:GDP502 4.7 25.3 1.0 O3B B:GDP502 4.8 25.9 1.0 CB B:ASP179 4.9 24.7 1.0 H2' B:GDP502 4.9 29.8 1.0 CG B:ASN101 5.0 24.6 1.0 OD1 B:ASN101 5.0 26.2 1.0

Magnesium binding site 3 out of 5 in the Crystal Structure of T2R-Ttl-(+)-6-Cl-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-Cl-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg504 b:32.8 occ:1.00 O C:HOH611 2.1 42.0 1.0 O1B C:GTP501 2.2 31.9 1.0 O3G C:GTP501 2.6 32.5 1.0 PB C:GTP501 3.4 31.5 1.0 OE1 C:GLU71 3.6 34.2 1.0 PG C:GTP501 3.7 32.3 1.0 CB C:GLN11 3.8 32.2 1.0 O3B C:GTP501 3.8 31.7 1.0 O3A C:GTP501 4.0 31.5 1.0 OE1 C:GLN11 4.0 33.4 1.0 O1G C:GTP501 4.0 32.5 1.0 OD2 C:ASP69 4.2 33.0 1.0 OD2 C:ASP98 4.2 33.9 1.0 N C:GLN11 4.3 31.6 1.0 O1A C:GTP501 4.3 31.9 1.0 CG C:GLU71 4.3 34.2 1.0 CD C:GLU71 4.4 34.5 1.0 OD1 C:ASP69 4.4 32.5 1.0 CA C:GLN11 4.6 31.9 1.0 O2B C:GTP501 4.6 31.1 1.0 CD C:GLN11 4.7 33.1 1.0 PA C:GTP501 4.7 31.4 1.0 NZ D:LYS254 4.7 47.0 1.0 CG C:GLN11 4.7 32.7 1.0 CG C:ASP69 4.7 32.8 1.0 CG C:ASP98 4.9 33.9 1.0 CB C:ASP98 4.9 33.7 1.0 O2G C:GTP501 4.9 32.3 1.0

Magnesium binding site 4 out of 5 in the Crystal Structure of T2R-Ttl-(+)-6-Cl-JP18 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-(+)-6-Cl-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg502 b:54.7 occ:1.00 OE1 D:GLN11 2.3 54.4 1.0 O2A D:GDP501 2.7 69.4 1.0 O3A D:GDP501 3.1 61.1 1.0 H5'' D:GDP501 3.3 63.7 1.0 ND2 D:ASN101 3.4 55.7 1.0 CD D:GLN11 3.4 54.0 1.0 OD1 D:ASN101 3.4 67.7 1.0 PA D:GDP501 3.5 53.4 1.0 OD2 D:ASP179 3.5 60.3 1.0 CG D:ASN101 3.8 58.9 1.0 O5' D:GDP501 3.9 52.4 1.0 C5' D:GDP501 4.1 53.1 1.0 NE2 D:GLN11 4.1 57.1 1.0 CG D:ASP179 4.2 77.0 1.0 CB D:GLN11 4.2 52.5 1.0 OD1 D:ASP179 4.3 78.1 1.0 PB D:GDP501 4.4 52.6 1.0 CG D:GLN11 4.4 53.2 1.0 H5' D:GDP501 4.4 63.7 1.0 O2B D:GDP501 4.5 63.6 1.0 H8 D:GDP501 4.6 62.6 1.0 O1A D:GDP501 4.7 51.5 1.0 O1B D:GDP501 4.8 63.2 1.0

Magnesium binding site 5 out of 5 in the Crystal Structure of T2R-Ttl-(+)-6-Cl-JP18 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-(+)-6-Cl-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg401 b:65.6 occ:1.00 OE2 F:GLU331 2.6 70.8 1.0 O F:HOH506 2.8 42.0 1.0 CD F:GLU331 3.3 70.9 1.0 CG F:GLU331 3.8 64.9 1.0 OE1 F:GLU331 4.1 74.6 1.0 OD2 F:ASP318 4.1 62.7 1.0 CG2 F:ILE330 4.5 66.4 1.0 CB F:GLU331 4.9 60.8 1.0 NZ F:LYS74 4.9 64.2 1.0

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