Magnesium in PDB 3ilj: Crystal Structure of E. Coli Hppk(D95A) in Complex with Mgampcpp

All present enzymatic activity of Crystal Structure of E. Coli Hppk(D95A) in Complex with Mgampcpp:
2.7.6.3;

The structure of Crystal Structure of E. Coli Hppk(D95A) in Complex with Mgampcpp, PDB code: 3ilj was solved by J.Blaszczyk, Y.Li, H.Yan, X.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.27 / 1.65
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.030, 70.210, 36.260, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.5

The structure of Crystal Structure of E. Coli Hppk(D95A) in Complex with Mgampcpp also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of E. Coli Hppk(D95A) in Complex with Mgampcpp (pdb code 3ilj). 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 E. Coli Hppk(D95A) in Complex with Mgampcpp, PDB code: 3ilj:

Magnesium binding site 1 out of 1 in the Crystal Structure of E. Coli Hppk(D95A) in Complex with Mgampcpp


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 E. Coli Hppk(D95A) in Complex with Mgampcpp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg161 b:31.4 occ:1.00 OD1 A:ASP97 2.2 16.2 1.0 O1B A:APC171 2.3 29.9 0.5 O1G A:APC171 2.4 19.7 0.5 O A:HOH203 2.4 23.7 1.0 O A:HOH201 2.5 25.2 1.0 O A:HOH202 2.5 26.8 1.0 O1A A:APC171 3.0 30.8 0.5 CG A:ASP97 3.2 14.5 1.0 O1B A:APC171 3.2 37.7 0.5 O3B A:APC171 3.3 38.7 0.5 PG A:APC171 3.3 27.3 0.5 PB A:APC171 3.4 38.0 0.5 OD2 A:ASP97 3.5 12.9 1.0 C3A A:APC171 3.8 30.6 0.5 O A:HOH339 3.8 33.0 1.0 PA A:APC171 3.9 45.1 0.5 O5' A:APC171 4.0 28.4 0.5 O A:HOH365 4.1 22.6 1.0 PB A:APC171 4.1 43.9 0.5 NE2 A:HIS115 4.1 12.2 1.0 O1G A:APC171 4.2 34.5 0.5 O2G A:APC171 4.3 34.1 0.5 N3 A:APC171 4.3 12.7 1.0 C2 A:APC171 4.4 12.7 1.0 O3G A:APC171 4.4 37.3 0.5 C3A A:APC171 4.5 37.4 0.5 O2B A:APC171 4.5 40.9 0.5 O A:HOH334 4.5 21.6 1.0 CB A:ASP97 4.5 9.0 1.0 O5' A:APC171 4.7 31.8 0.5 C5' A:APC171 4.7 30.0 0.5 O4' A:APC171 4.7 24.3 0.5 O A:LEU96 4.7 11.6 1.0 O A:HOH404 4.8 29.0 1.0 O4' A:APC171 4.8 24.3 0.5 CD2 A:HIS115 4.9 10.2 1.0 C5' A:APC171 4.9 29.9 0.5 O3B A:APC171 5.0 34.5 0.5 C4 A:APC171 5.0 16.1 1.0

Y.Li, J.Blaszczyk, X.Ji, H.Yan. Structural and Functional Roles of Residues D95 and D97 in E. Coli Hppk To Be Published.