Magnesium in PDB 7bph: Crystal Structure of Gppnhp-Bound Gnas in Complex with the Cyclic Peptide Inhibitor Gsin-1

The structure of Crystal Structure of Gppnhp-Bound Gnas in Complex with the Cyclic Peptide Inhibitor Gsin-1, PDB code: 7bph was solved by Q.Hu, S.Dai, K.M.Shokat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.45 / 1.57
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.905, 78.332, 80.043, 90, 90, 90
R / Rfree (%)	19.7 / 22.9

The structure of Crystal Structure of Gppnhp-Bound Gnas in Complex with the Cyclic Peptide Inhibitor Gsin-1 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Gppnhp-Bound Gnas in Complex with the Cyclic Peptide Inhibitor Gsin-1 (pdb code 7bph). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Gppnhp-Bound Gnas in Complex with the Cyclic Peptide Inhibitor Gsin-1, PDB code: 7bph:

Magnesium binding site 1 out of 1 in the Crystal Structure of Gppnhp-Bound Gnas in Complex with the Cyclic Peptide Inhibitor Gsin-1


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 Gppnhp-Bound Gnas in Complex with the Cyclic Peptide Inhibitor Gsin-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:7.6 occ:1.00 O1G A:GNP401 2.0 9.9 1.0 OG A:SER54 2.1 7.9 1.0 O A:HOH510 2.1 9.3 1.0 O1B A:GNP401 2.1 3.9 1.0 O A:HOH519 2.1 8.5 1.0 OG1 A:THR204 2.2 9.4 1.0 CB A:THR204 3.1 16.6 1.0 CB A:SER54 3.2 6.9 1.0 PG A:GNP401 3.2 12.9 1.0 PB A:GNP401 3.3 5.8 1.0 N3B A:GNP401 3.5 5.5 1.0 N A:SER54 3.9 4.3 1.0 CG2 A:THR204 4.0 16.6 1.0 OD2 A:ASP223 4.0 11.8 1.0 O2G A:GNP401 4.1 14.6 1.0 CA A:SER54 4.1 7.0 1.0 O1A A:GNP401 4.1 7.6 1.0 OD1 A:ASP223 4.2 14.2 1.0 N A:THR204 4.2 18.6 1.0 CA A:THR204 4.2 18.1 1.0 O2B A:GNP401 4.3 6.7 1.0 O3G A:GNP401 4.3 14.6 1.0 O3A A:GNP401 4.3 4.7 1.0 O A:VAL224 4.5 11.7 1.0 O A:VAL202 4.5 26.0 1.0 CG A:ASP223 4.5 15.5 1.0 PA A:GNP401 4.6 6.3 1.0 O2A A:GNP401 4.7 8.3 1.0 CB A:LYS53 4.8 6.4 1.0 CE A:LYS53 4.9 8.0 1.0 C A:LYS53 4.9 7.8 1.0 C A:LEU203 5.0 28.9 1.0

Q.Hu, S.Dai, K.M.Shokat. A Cyclic Peptide Inhibitor Targeting the Active State of Gnas To Be Published.