Magnesium in PDB 6yiz: Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with Triazolo-Pyridine Inverse Agonist A

The structure of Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with Triazolo-Pyridine Inverse Agonist A, PDB code: 6yiz was solved by S.Schmelz, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.32 / 2.16
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	109.81, 120.65, 113.19, 90, 90, 90
R / Rfree (%)	20.3 / 26

The structure of Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with Triazolo-Pyridine Inverse Agonist A also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Magnesium atom in the Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with Triazolo-Pyridine Inverse Agonist A (pdb code 6yiz). 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 Pqsr (Mvfr) Ligand-Binding Domain in Complex with Triazolo-Pyridine Inverse Agonist A, PDB code: 6yiz:

Magnesium binding site 1 out of 1 in the Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with Triazolo-Pyridine Inverse Agonist A


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 Pqsr (Mvfr) Ligand-Binding Domain in Complex with Triazolo-Pyridine Inverse Agonist A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:23.7 occ:1.00 O A:HOH514 2.1 32.5 1.0 O B:HOH611 2.1 32.4 1.0 O B:HOH631 2.2 30.3 1.0 O B:HOH629 2.2 37.3 1.0 O B:HOH602 2.2 39.1 1.0 O A:HOH510 2.2 34.9 1.0 O35 B:OT2502 3.8 43.8 1.0 OD2 B:ASP264 3.9 30.0 1.0 O35 A:OT2401 4.0 37.0 1.0 OD2 A:ASP264 4.2 33.1 1.0 OD1 A:ASP264 4.3 29.0 1.0 CG B:ASP264 4.3 35.4 1.0 OD1 B:ASP264 4.4 41.5 1.0 HZ1 B:LYS167 4.4 59.8 1.0 O34 B:OT2502 4.4 36.4 1.0 CG A:ASP264 4.4 33.0 1.0 HZ1 A:LYS167 4.4 41.3 1.0 O34 A:OT2401 4.5 27.2 1.0 CD2 A:TYR165 4.5 28.6 1.0 HD2 A:TYR165 4.5 35.4 1.0 HZ2 B:LYS167 4.5 59.8 1.0 HZ3 B:LYS167 4.6 59.8 1.0 CD2 B:TYR165 4.6 23.8 1.0 H311 B:OT2502 4.7 49.5 1.0 CE2 A:TYR165 4.7 23.6 1.0 HD2 B:TYR165 4.7 29.6 1.0 NZ B:LYS167 4.7 48.9 1.0 S32 B:OT2502 4.8 35.5 1.0 CG B:TYR165 4.8 25.2 1.0 H311 A:OT2401 4.8 39.2 1.0 CG A:TYR165 4.8 23.0 1.0 HE2 A:TYR165 4.8 29.4 1.0 S32 A:OT2401 4.9 34.7 1.0 CE2 B:TYR165 4.9 26.2 1.0 HB3 B:TYR165 4.9 34.5 1.0 C31 B:OT2502 5.0 40.3 1.0

W.Blankenfeldt, S.Schmelz. Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with Compound 1121 To Be Published.