Magnesium in PDB 3kuh: Crystal Structure of E. Coli Hppk(H115A) in Complex with Ampcpp and Hp

All present enzymatic activity of Crystal Structure of E. Coli Hppk(H115A) in Complex with Ampcpp and Hp:
2.7.6.3;

The structure of Crystal Structure of E. Coli Hppk(H115A) in Complex with Ampcpp and Hp, PDB code: 3kuh 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)	27.12 / 1.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.720, 38.340, 57.900, 90.00, 116.90, 90.00
R / Rfree (%)	12.8 / 17.6

The structure of Crystal Structure of E. Coli Hppk(H115A) in Complex with Ampcpp and Hp also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of E. Coli Hppk(H115A) in Complex with Ampcpp and Hp (pdb code 3kuh). 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 E. Coli Hppk(H115A) in Complex with Ampcpp and Hp, PDB code: 3kuh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of E. Coli Hppk(H115A) in Complex with Ampcpp and Hp


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(H115A) in Complex with Ampcpp and Hp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg191 b:5.8 occ:1.00 O1B A:APC171 2.1 5.5 1.0 OD1 A:ASP95 2.1 6.5 1.0 O1A A:APC171 2.1 6.7 1.0 O A:HOH201 2.1 6.0 1.0 OD1 A:ASP97 2.2 8.3 1.0 O A:HOH202 2.2 6.2 1.0 CG A:ASP95 3.1 7.4 1.0 PB A:APC171 3.2 5.8 1.0 CG A:ASP97 3.2 9.1 1.0 PA A:APC171 3.3 6.3 1.0 OD2 A:ASP95 3.3 7.1 1.0 MG A:MG192 3.5 7.6 1.0 C3A A:APC171 3.5 6.2 1.0 OD2 A:ASP97 3.6 10.1 1.0 O5' A:APC171 3.8 6.8 1.0 O2B A:APC171 4.0 7.2 1.0 O A:HOH294 4.1 14.8 1.0 OE2 A:GLU77 4.2 5.6 1.0 NH1 A:ARG82 4.3 11.3 1.0 O A:LEU96 4.3 6.1 1.0 O A:HOH387 4.4 20.4 1.0 CB A:ASP95 4.4 6.2 1.0 O3B A:APC171 4.5 5.3 1.0 CB A:ASP97 4.5 8.2 1.0 O A:HOH206 4.5 6.6 1.0 O2A A:APC171 4.6 7.1 1.0 C A:LEU96 4.6 5.6 1.0 NH2 A:ARG82 4.6 12.5 1.0 O1G A:APC171 4.7 9.8 1.0 N A:LEU96 4.7 4.3 1.0 CA A:ASP97 4.7 7.0 1.0 N3 A:APC171 4.7 5.2 1.0 C2 A:APC171 4.8 5.6 1.0 N A:ASP97 4.8 5.7 1.0 O3G A:APC171 4.8 9.2 1.0 CA A:ASP95 4.8 5.3 1.0 O4 A:PH2181 4.9 8.1 0.5 CZ A:ARG82 4.9 11.5 1.0 PG A:APC171 4.9 7.0 1.0 C A:ASP95 5.0 4.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of E. Coli Hppk(H115A) in Complex with Ampcpp and Hp


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 E. Coli Hppk(H115A) in Complex with Ampcpp and Hp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg192 b:7.6 occ:1.00 O3G A:APC171 2.2 9.2 1.0 O1B A:APC171 2.2 5.5 1.0 OD2 A:ASP97 2.2 10.1 1.0 OD2 A:ASP95 2.3 7.1 1.0 O A:HOH203 2.3 8.8 1.0 O4 A:PH2181 2.4 8.1 0.5 CG A:ASP97 3.1 9.1 1.0 PG A:APC171 3.3 7.0 1.0 PB A:APC171 3.3 5.8 1.0 CG A:ASP95 3.3 7.4 1.0 OD1 A:ASP97 3.3 8.3 1.0 C11 A:PH2181 3.4 3.4 0.5 O3B A:APC171 3.4 5.3 1.0 MG A:MG191 3.5 5.8 1.0 C11 A:PH2181 3.7 11.2 0.5 OD1 A:ASP95 3.7 6.5 1.0 O A:HOH213 3.9 9.4 1.0 O1G A:APC171 3.9 9.8 1.0 O2B A:APC171 4.0 7.2 1.0 NH1 A:ARG121 4.0 7.0 1.0 O A:HOH207 4.0 6.7 1.0 NH1 A:ARG92 4.1 11.2 1.0 O A:HOH211 4.2 8.3 1.0 N1 A:PH2181 4.3 9.9 0.5 N1 A:PH2181 4.3 3.1 0.5 C2 A:PH2181 4.4 14.1 0.5 CB A:ASP97 4.5 8.2 1.0 C2 A:PH2181 4.5 1.7 0.5 O4 A:PH2181 4.5 5.5 0.5 O2G A:APC171 4.5 6.5 1.0 CB A:ASP95 4.6 6.2 1.0 O A:HOH202 4.6 6.2 1.0 O A:HOH222 4.7 11.4 1.0 CE A:MET124 4.7 14.2 1.0 C3A A:APC171 4.8 6.2 1.0

Y.Li, J.Blaszczyk, X.Ji, H.Yan. Roles of Residues E77 and H115 in E. Coli Hppk To Be Published.