Magnesium in PDB 7b1u: Crystal Structure of A Shortened Ipgc Variant in Complex with 3-(3,4- Difluorophenyl)-1H,4H,6H,7H-Imidazo[2,1-C][1,2,4]Triazine

The structure of Crystal Structure of A Shortened Ipgc Variant in Complex with 3-(3,4- Difluorophenyl)-1H,4H,6H,7H-Imidazo[2,1-C][1,2,4]Triazine, PDB code: 7b1u was solved by M.Gardonyi, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.46 / 1.59
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.418, 57.418, 159.222, 90, 90, 120
R / Rfree (%)	19.3 / 22.3

The structure of Crystal Structure of A Shortened Ipgc Variant in Complex with 3-(3,4- Difluorophenyl)-1H,4H,6H,7H-Imidazo[2,1-C][1,2,4]Triazine also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of A Shortened Ipgc Variant in Complex with 3-(3,4- Difluorophenyl)-1H,4H,6H,7H-Imidazo[2,1-C][1,2,4]Triazine (pdb code 7b1u). 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 A Shortened Ipgc Variant in Complex with 3-(3,4- Difluorophenyl)-1H,4H,6H,7H-Imidazo[2,1-C][1,2,4]Triazine, PDB code: 7b1u:

Magnesium binding site 1 out of 1 in the Crystal Structure of A Shortened Ipgc Variant in Complex with 3-(3,4- Difluorophenyl)-1H,4H,6H,7H-Imidazo[2,1-C][1,2,4]Triazine


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 A Shortened Ipgc Variant in Complex with 3-(3,4- Difluorophenyl)-1H,4H,6H,7H-Imidazo[2,1-C][1,2,4]Triazine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:39.0 occ:1.00 O B:HOH355 2.1 43.4 1.0 O B:HOH357 2.1 36.7 1.0 O B:HOH313 2.2 32.2 1.0 O B:HOH306 2.2 34.6 1.0 O B:HOH351 2.3 37.0 1.0 O B:SER134 3.9 30.1 1.0 NZ B:LYS140 4.0 30.1 1.0 O B:GLN132 4.1 36.8 1.0 O B:HOH309 4.1 32.3 1.0 OD1 B:ASN135 4.2 53.6 1.0 O B:ILE131 4.5 33.6 1.0 C B:GLN132 4.8 33.7 1.0 CE B:LYS140 4.9 30.1 1.0

M.Gardonyi, A.Heine, G.Klebe. Crystal Structure of A Shortened Ipgc Variant in Complex with 3-(3,4-Difluorophenyl)-1H,4H,6H,7H-Imidazo[2,1-C][1,2, 4]Triazine To Be Published.