Magnesium in PDB 7p42: Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2

The structure of Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2, PDB code: 7p42 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)	31.12 / 1.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.629, 57.629, 159.246, 90, 90, 120
R / Rfree (%)	19.7 / 21.9

The structure of Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2 also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2 (pdb code 7p42). 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 Ipgc in Complex with A Follow-Up Compound Based on J2, PDB code: 7p42:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2


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 Ipgc in Complex with A Follow-Up Compound Based on J2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:17.7 occ:0.78 O A:HOH389 2.1 33.3 0.8 O A:HOH302 4.0 26.5 1.0 O A:HOH305 4.2 33.4 1.0 O A:HOH388 4.4 23.9 1.0 OD2 A:ASP33 4.6 36.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2


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 Ipgc in Complex with A Follow-Up Compound Based on J2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:35.2 occ:0.84 O B:HOH327 2.0 39.6 0.8 O B:HOH340 2.0 24.9 0.8 O B:HOH325 2.2 39.0 0.8 OG B:SER41 2.3 25.6 0.5 CB B:SER41 3.5 25.0 0.5 CB B:SER41 3.7 24.7 0.5 O B:HOH395 3.9 34.5 1.0 CA B:SER41 4.0 21.9 0.5 CA B:SER41 4.0 22.0 0.5 O B:SER41 4.1 22.9 0.5 O B:SER41 4.1 22.8 0.5 OD1 B:ASP45 4.2 30.8 1.0 O B:HOH308 4.3 37.7 1.0 C B:SER41 4.5 22.6 0.5 C B:SER41 4.5 22.6 0.5 OG B:SER41 4.8 27.8 0.5 CG B:ASP45 5.0 32.7 1.0

M.Gardonyi, A.Heine, G.Klebe. Crystal Structure of Ipgc in Complex with A Follow-Up Compound Based on J2 To Be Published.