Magnesium in PDB 7wjv: Crystal Structure of Human Liver Fbpase Complexed with An Covalent Inhibitor

The structure of Crystal Structure of Human Liver Fbpase Complexed with An Covalent Inhibitor, PDB code: 7wjv was solved by H.Cao, Y.Huang, Y.Ren, J.Wan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.45 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.641, 83.617, 278.717, 90, 90, 90
R / Rfree (%)	17.4 / 19.8

The binding sites of Magnesium atom in the Crystal Structure of Human Liver Fbpase Complexed with An Covalent Inhibitor (pdb code 7wjv). 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 Human Liver Fbpase Complexed with An Covalent Inhibitor, PDB code: 7wjv:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human Liver Fbpase Complexed with An Covalent Inhibitor


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 Human Liver Fbpase Complexed with An Covalent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:21.3 occ:1.00 O A:LEU120 2.1 31.6 1.0 O A:HOH656 2.3 28.4 1.0 OE2 A:GLU98 2.3 32.4 1.0 O A:HOH570 2.4 25.2 1.0 OD1 A:ASP118 2.5 23.3 1.0 OE1 A:GLU97 2.6 28.9 1.0 C A:LEU120 3.3 21.7 1.0 CD A:GLU97 3.5 29.9 1.0 CG A:ASP118 3.5 24.4 1.0 CD A:GLU98 3.6 36.3 1.0 OD2 A:ASP118 3.8 29.2 1.0 CB A:GLU97 4.1 18.3 1.0 CG A:GLU97 4.1 22.7 1.0 CA A:ASP121 4.1 31.0 1.0 N A:ASP121 4.1 23.1 1.0 N A:LEU120 4.1 13.5 1.0 O A:HOH501 4.3 38.5 1.0 CD A:PRO119 4.3 14.2 1.0 OE2 A:GLU97 4.3 29.0 1.0 OE1 A:GLU98 4.4 30.5 1.0 CA A:LEU120 4.4 15.1 1.0 CG A:GLU98 4.5 25.8 1.0 OD2 A:ASP74 4.5 35.5 1.0 O A:HOH719 4.5 42.6 1.0 O A:HOH606 4.6 44.7 1.0 CG A:ASP74 4.7 31.0 1.0 N A:PRO119 4.8 13.0 1.0 CG A:PRO119 4.8 14.4 1.0 CB A:ASP118 4.8 14.8 1.0 CB A:ASP121 4.9 26.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human Liver Fbpase Complexed with An Covalent Inhibitor


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 Human Liver Fbpase Complexed with An Covalent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg504 b:15.6 occ:1.00 O B:LEU120 2.2 24.3 1.0 OE2 B:GLU98 2.3 28.9 1.0 O B:HOH820 2.3 25.7 1.0 OD1 B:ASP118 2.4 19.5 1.0 O B:HOH677 2.4 21.8 1.0 OE1 B:GLU97 2.4 24.7 1.0 CG B:ASP118 3.4 18.7 1.0 CD B:GLU97 3.4 27.3 1.0 C B:LEU120 3.4 19.7 1.0 CD B:GLU98 3.5 32.4 1.0 OD2 B:ASP118 3.7 23.3 1.0 CG B:GLU97 4.0 17.5 1.0 CA B:ASP121 4.1 21.5 1.0 O B:HOH856 4.1 42.3 1.0 CB B:GLU97 4.1 16.8 1.0 N B:ASP121 4.1 17.5 1.0 N B:LEU120 4.2 12.2 1.0 OE2 B:GLU97 4.2 28.6 1.0 OE1 B:GLU98 4.3 26.1 1.0 CG B:GLU98 4.4 22.5 1.0 CA B:LEU120 4.5 13.8 1.0 CD B:PRO119 4.5 12.7 1.0 O B:HOH655 4.5 28.5 1.0 OD2 B:ASP74 4.6 25.5 1.0 CB B:ASP118 4.7 14.5 1.0 CB B:ASP121 4.8 21.2 1.0 N B:PRO119 4.8 12.3 1.0 CG B:ASP74 4.8 23.0 1.0 CG B:PRO119 4.9 14.4 1.0

W.Wen, H.Cao, Y.Xu, Y.Ren, L.Rao, X.Shao, H.Chen, L.Wu, J.Liu, C.Su, C.Peng, Y.Huang, J.Wan. N -Acylamino Saccharin As An Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel Fbpase Inhibitors Toward Glucose Reduction. J.Med.Chem. V. 65 9126 2022.
ISSN: ISSN 0022-2623
PubMed: 35786925
DOI: 10.1021/ACS.JMEDCHEM.2C00336