Magnesium in PDB 8htg: Crystal Structure of Golf in Complex with Gtp-Gamma S and Mg

The structure of Crystal Structure of Golf in Complex with Gtp-Gamma S and Mg, PDB code: 8htg was solved by H.Kang, H.-J.Choi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.57 / 2.91
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	121.73, 52.36, 125.51, 90, 118.53, 90
R / Rfree (%)	23 / 26.7

The binding sites of Magnesium atom in the Crystal Structure of Golf in Complex with Gtp-Gamma S and Mg (pdb code 8htg). 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 Golf in Complex with Gtp-Gamma S and Mg, PDB code: 8htg:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Golf in Complex with Gtp-Gamma S and Mg


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 Golf in Complex with Gtp-Gamma S and Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:20.6 occ:1.00 OG A:SER56 2.1 25.0 1.0 O2G A:GSP403 2.2 26.8 1.0 O2B A:GSP403 2.2 29.3 1.0 OG1 A:THR191 2.2 42.6 1.0 O A:HOH506 2.7 22.3 1.0 CB A:THR191 2.9 38.6 1.0 PG A:GSP403 3.3 37.4 1.0 CB A:SER56 3.3 22.3 1.0 O A:VAL211 3.4 28.9 1.0 PB A:GSP403 3.4 26.6 1.0 OD1 A:ASP210 3.5 26.5 1.0 CG2 A:THR191 3.7 34.0 1.0 O3B A:GSP403 3.7 33.7 1.0 O3G A:GSP403 3.7 32.5 1.0 N A:SER56 3.8 23.6 1.0 OD2 A:ASP210 4.0 37.0 1.0 CA A:SER56 4.1 26.7 1.0 CG A:ASP210 4.2 31.3 1.0 O1B A:GSP403 4.2 24.7 1.0 CA A:THR191 4.3 36.7 1.0 O2A A:GSP403 4.4 21.1 1.0 N A:THR191 4.4 35.2 1.0 C A:VAL211 4.4 28.0 1.0 O3A A:GSP403 4.6 21.0 1.0 NZ A:LYS55 4.6 26.0 1.0 CE A:LYS55 4.6 31.2 1.0 CB A:LYS55 4.7 27.9 1.0 CA A:GLY212 4.8 37.0 1.0 O1A A:GSP403 4.8 32.3 1.0 S1G A:GSP403 4.8 32.2 1.0 PA A:GSP403 4.8 22.9 1.0 C A:LYS55 4.9 27.8 1.0 O A:HOH514 5.0 16.1 1.0 N A:GLY212 5.0 35.8 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Golf in Complex with Gtp-Gamma S and Mg


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 Golf in Complex with Gtp-Gamma S and Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:29.5 occ:1.00 O2G B:GSP403 1.9 37.7 1.0 OG B:SER56 2.2 28.2 1.0 OG1 B:THR191 2.2 34.8 1.0 O2B B:GSP403 2.2 30.5 1.0 O B:HOH506 2.6 28.8 1.0 CB B:SER56 2.9 28.5 1.0 PG B:GSP403 3.2 42.4 1.0 O2A B:GSP403 3.3 31.5 1.0 PB B:GSP403 3.4 25.1 1.0 CB B:THR191 3.4 30.9 1.0 O3B B:GSP403 3.5 35.0 1.0 O B:VAL189 3.7 35.2 1.0 N B:SER56 4.1 29.1 1.0 CA B:SER56 4.1 24.8 1.0 O3G B:GSP403 4.1 24.8 1.0 N B:THR191 4.1 34.6 1.0 PA B:GSP403 4.1 34.5 1.0 O3A B:GSP403 4.3 24.1 1.0 O1A B:GSP403 4.3 36.0 1.0 CA B:THR191 4.4 31.4 1.0 S1G B:GSP403 4.4 46.9 1.0 CG2 B:THR191 4.4 33.1 1.0 O1B B:GSP403 4.5 26.6 1.0 OD2 B:ASP210 4.6 32.4 1.0 C B:VAL189 4.9 33.1 1.0 C B:LEU190 4.9 32.8 1.0 OD1 B:ASP210 5.0 35.7 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Golf in Complex with Gtp-Gamma S and Mg


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 Golf in Complex with Gtp-Gamma S and Mg within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg401 b:29.4 occ:1.00 O2G C:GSP402 2.0 28.8 1.0 O C:HOH505 2.0 28.6 1.0 OG1 C:THR191 2.1 34.4 1.0 OG C:SER56 2.1 38.1 1.0 CB C:THR191 2.5 32.0 1.0 O C:HOH504 2.6 27.1 1.0 O2B C:GSP402 3.0 35.2 1.0 CG2 C:THR191 3.3 45.2 1.0 PG C:GSP402 3.3 44.0 1.0 O C:VAL211 3.5 37.9 1.0 CB C:SER56 3.5 31.1 1.0 OD1 C:ASP210 3.8 33.2 1.0 O3G C:GSP402 3.8 27.4 1.0 CA C:THR191 3.9 29.7 1.0 OD2 C:ASP210 3.9 33.5 1.0 O3B C:GSP402 3.9 43.1 1.0 PB C:GSP402 4.0 34.9 1.0 N C:THR191 4.1 34.0 1.0 N C:SER56 4.2 25.9 1.0 CG C:ASP210 4.2 33.7 1.0 CA C:SER56 4.3 25.4 1.0 C C:VAL211 4.4 40.2 1.0 S1G C:GSP402 4.6 32.6 1.0 CA C:GLY212 4.7 40.5 1.0 C C:THR191 4.8 33.6 1.0 O1B C:GSP402 4.8 29.4 1.0 O C:THR191 4.8 35.0 1.0 CE C:LYS55 4.9 31.2 1.0 NZ C:LYS55 4.9 30.9 1.0 N C:GLY212 4.9 44.4 1.0 O C:VAL189 5.0 45.4 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Golf in Complex with Gtp-Gamma S and Mg


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 Golf in Complex with Gtp-Gamma S and Mg within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg401 b:87.9 occ:1.00 O2G D:GSP402 2.1 95.8 1.0 OG D:SER56 2.1 122.9 1.0 O2B D:GSP402 2.2 91.6 1.0 OG1 D:THR191 2.2 122.5 1.0 CB D:THR191 2.9 98.9 1.0 PG D:GSP402 3.2 106.6 1.0 PB D:GSP402 3.3 85.4 1.0 CB D:SER56 3.3 109.1 1.0 O3G D:GSP402 3.6 96.9 1.0 O D:VAL211 3.6 79.1 1.0 CG2 D:THR191 3.6 91.5 1.0 OD1 D:ASP210 3.6 77.6 1.0 O3B D:GSP402 3.7 106.0 1.0 O1B D:GSP402 3.8 91.2 1.0 N D:SER56 3.9 87.7 1.0 OD2 D:ASP210 3.9 84.8 1.0 CA D:SER56 4.1 90.4 1.0 CA D:THR191 4.2 79.1 1.0 CG D:ASP210 4.2 78.8 1.0 N D:THR191 4.3 88.5 1.0 C D:VAL211 4.6 78.7 1.0 S1G D:GSP402 4.7 84.7 1.0 O3A D:GSP402 4.7 91.8 1.0 NZ D:LYS55 4.7 83.9 1.0 CE D:LYS55 4.8 72.7 1.0 O2A D:GSP402 4.8 85.5 1.0 CB D:LYS55 4.8 86.8 1.0 CA D:GLY212 4.9 80.9 1.0 C D:LYS55 4.9 90.0 1.0

C.Choi, J.Bae, S.Kim, S.Lee, H.Kang, J.Kim, I.Bang, K.Kim, W.K.Huh, C.Seok, H.Park, W.Im, H.J.Choi. Understanding the Molecular Mechanisms of Odorant Binding and Activation of the Human OR52 Family. Nat Commun V. 14 8105 2023.
ISSN: ESSN 2041-1723
PubMed: 38062020
DOI: 10.1038/S41467-023-43983-9