Magnesium in PDB 5kdl: Crystal Structure of the 4 Alanine Insertion Variant of the Gi ALPHA1 Subunit Bound to Gtpgammas

The structure of Crystal Structure of the 4 Alanine Insertion Variant of the Gi ALPHA1 Subunit Bound to Gtpgammas, PDB code: 5kdl was solved by A.I.Kaya, A.D.Lokits, J.Gilbert, T.M.Iverson, J.Meiler, H.E.Hamm, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.82 / 2.67
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.742, 77.351, 73.095, 90.00, 99.86, 90.00
R / Rfree (%)	20.9 / 26.5

The binding sites of Magnesium atom in the Crystal Structure of the 4 Alanine Insertion Variant of the Gi ALPHA1 Subunit Bound to Gtpgammas (pdb code 5kdl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the 4 Alanine Insertion Variant of the Gi ALPHA1 Subunit Bound to Gtpgammas, PDB code: 5kdl:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the 4 Alanine Insertion Variant of the Gi ALPHA1 Subunit Bound to Gtpgammas


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 the 4 Alanine Insertion Variant of the Gi ALPHA1 Subunit Bound to Gtpgammas within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:56.5 occ:1.00 O A:HOH501 2.0 62.1 1.0 OG1 A:THR181 2.0 54.6 1.0 OG A:SER47 2.0 50.1 1.0 O1B A:GSP402 2.1 41.0 1.0 O2G A:GSP402 2.1 50.6 1.0 O A:HOH502 2.5 31.6 1.0 CB A:THR181 3.0 53.4 1.0 CB A:SER47 3.2 48.9 1.0 PG A:GSP402 3.3 57.6 1.0 PB A:GSP402 3.3 47.4 1.0 OD2 A:ASP200 3.5 67.0 1.0 O3G A:GSP402 3.6 39.9 1.0 O3B A:GSP402 3.7 44.9 1.0 OD1 A:ASP200 3.7 76.3 1.0 N A:SER47 3.9 51.8 1.0 CG2 A:THR181 3.9 56.1 1.0 O2B A:GSP402 4.0 53.1 1.0 CG A:ASP200 4.0 77.3 1.0 CA A:SER47 4.0 36.4 1.0 N A:THR181 4.1 56.9 1.0 CA A:THR181 4.1 57.2 1.0 O A:VAL201 4.3 63.8 1.0 O1A A:GSP402 4.3 51.1 1.0 O3A A:GSP402 4.5 41.5 1.0 O A:VAL179 4.7 63.4 1.0 S1G A:GSP402 4.7 62.9 1.0 PA A:GSP402 4.8 46.9 1.0 O2A A:GSP402 4.9 0.6 1.0 CB A:LYS46 4.9 40.8 1.0 C A:LYS46 4.9 48.2 1.0 NZ A:LYS46 4.9 48.9 1.0 CE A:LYS46 4.9 43.6 1.0 C A:VAL201 5.0 65.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the 4 Alanine Insertion Variant of the Gi ALPHA1 Subunit Bound to Gtpgammas


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 the 4 Alanine Insertion Variant of the Gi ALPHA1 Subunit Bound to Gtpgammas within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:46.5 occ:1.00 OG1 B:THR181 2.0 48.5 1.0 O2B B:GSP402 2.0 42.3 1.0 O B:HOH502 2.1 43.8 1.0 O2G B:GSP402 2.1 46.8 1.0 OG B:SER47 2.2 45.1 1.0 O B:HOH501 2.2 50.0 1.0 CB B:THR181 2.9 60.1 1.0 PB B:GSP402 3.2 48.6 1.0 CB B:SER47 3.3 42.7 1.0 PG B:GSP402 3.3 52.5 1.0 O3B B:GSP402 3.7 55.6 1.0 CG2 B:THR181 3.8 45.7 1.0 O3G B:GSP402 3.8 49.0 1.0 OD2 B:ASP200 3.9 64.5 1.0 N B:SER47 3.9 45.0 1.0 O1B B:GSP402 3.9 47.6 1.0 CA B:THR181 4.1 51.2 1.0 N B:THR181 4.1 48.5 1.0 CA B:SER47 4.1 36.0 1.0 O2A B:GSP402 4.3 43.1 1.0 OD1 B:ASP200 4.3 62.7 1.0 O B:VAL201 4.4 63.3 1.0 O3A B:GSP402 4.5 46.5 1.0 CG B:ASP200 4.5 55.7 1.0 O B:VAL179 4.6 48.3 1.0 CE B:LYS46 4.7 46.5 1.0 S1G B:GSP402 4.7 53.3 1.0 CB B:LYS46 4.7 48.0 1.0 PA B:GSP402 4.8 41.8 1.0 O1A B:GSP402 4.8 53.6 1.0 C B:LYS46 5.0 50.8 1.0

A.I.Kaya, A.D.Lokits, J.A.Gilbert, T.M.Iverson, J.Meiler, H.E.Hamm. A Conserved Hydrophobic Core in G Alpha I1 Regulates G Protein Activation and Release From Activated Receptor. J.Biol.Chem. V. 291 19674 2016.
ISSN: ESSN 1083-351X
PubMed: 27462082
DOI: 10.1074/JBC.M116.745513