Magnesium in PDB 4u98: Structure of Mycobacterial Maltokinase, the Missing Link in the Essential Glge-Pathway (Appcp Complex)

All present enzymatic activity of Structure of Mycobacterial Maltokinase, the Missing Link in the Essential Glge-Pathway (Appcp Complex):
2.7.1.175;

The structure of Structure of Mycobacterial Maltokinase, the Missing Link in the Essential Glge-Pathway (Appcp Complex), PDB code: 4u98 was solved by J.Fraga, N.Empadinhas, P.J.B.Pereira, S.Macedo-Ribeiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.65 / 1.15
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	63.000, 73.520, 106.910, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 16.3

The binding sites of Magnesium atom in the Structure of Mycobacterial Maltokinase, the Missing Link in the Essential Glge-Pathway (Appcp Complex) (pdb code 4u98). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Mycobacterial Maltokinase, the Missing Link in the Essential Glge-Pathway (Appcp Complex), PDB code: 4u98:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Mycobacterial Maltokinase, the Missing Link in the Essential Glge-Pathway (Appcp Complex)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Mycobacterial Maltokinase, the Missing Link in the Essential Glge-Pathway (Appcp Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:29.3 occ:1.00 OD2 A:ASP322 2.2 23.6 1.0 OE1 A:GLN310 2.3 17.1 1.0 HOB2 A:ACP501 2.4 33.0 0.5 O2B A:ACP501 2.4 27.5 0.5 O2B A:ACP501 2.4 29.4 0.5 O2A A:ACP501 2.4 31.7 0.5 O A:HOH1036 2.6 37.2 1.0 HOB2 A:ACP501 2.8 35.2 0.5 HB2 A:ASP322 3.0 18.8 1.0 HE22 A:GLN310 3.1 17.6 1.0 CG A:ASP322 3.1 18.9 1.0 CD A:GLN310 3.2 14.5 1.0 HB3 A:ASP322 3.3 18.8 1.0 CB A:ASP322 3.3 15.6 1.0 MG A:MG503 3.3 25.7 1.0 O3A A:ACP501 3.4 28.9 0.5 PB A:ACP501 3.4 25.5 0.5 O A:HOH1062 3.4 45.9 1.0 PA A:ACP501 3.5 33.0 0.5 NE2 A:GLN310 3.5 14.7 1.0 O A:HOH941 3.7 34.9 1.0 PB A:ACP501 3.8 32.4 0.5 O1B A:ACP501 3.9 32.1 0.5 O1B A:ACP501 4.0 26.0 0.5 O1A A:ACP501 4.2 35.9 0.5 O A:HOH915 4.2 31.4 0.9 HOG3 A:ACP501 4.2 33.5 0.5 OD1 A:ASP322 4.3 21.2 1.0 HA A:GLN310 4.3 13.9 1.0 HE21 A:GLN310 4.4 17.6 1.0 HOG3 A:ACP501 4.4 34.0 0.5 O1A A:ACP501 4.5 35.4 0.5 HG13 A:ILE321 4.6 19.1 1.0 CG A:GLN310 4.6 13.9 1.0 O5' A:ACP501 4.6 35.8 0.5 O A:HOH884 4.8 24.3 1.0 O A:HOH929 4.8 39.6 1.0 HG2 A:GLN310 4.8 16.8 1.0 O3A A:ACP501 4.8 30.7 0.5 O A:GLY309 4.8 16.6 1.0 CA A:ASP322 4.8 13.0 1.0 H3B1 A:ACP501 4.9 37.9 0.5 O3G A:ACP501 4.9 28.4 0.5 HD11 A:ILE321 4.9 24.4 1.0 O A:HOH1012 4.9 32.6 1.0 O A:HOH934 4.9 25.1 0.9 HD13 A:ILE321 5.0 24.4 1.0 C3B A:ACP501 5.0 31.6 0.5 PA A:ACP501 5.0 34.0 0.5

Magnesium binding site 2 out of 2 in the Structure of Mycobacterial Maltokinase, the Missing Link in the Essential Glge-Pathway (Appcp Complex)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Mycobacterial Maltokinase, the Missing Link in the Essential Glge-Pathway (Appcp Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:25.7 occ:1.00 HOB2 A:ACP501 1.3 35.2 0.5 HOB2 A:ACP501 1.3 33.0 0.5 HOG3 A:ACP501 1.4 33.5 0.5 HOG3 A:ACP501 1.5 34.0 0.5 O2B A:ACP501 1.9 27.5 0.5 O3G A:ACP501 2.0 28.4 0.5 O A:HOH941 2.1 34.9 1.0 O3G A:ACP501 2.1 27.9 0.5 OD2 A:ASP322 2.1 23.6 1.0 O A:HOH934 2.1 25.1 0.9 O A:HOH915 2.1 31.4 0.9 O2B A:ACP501 2.2 29.4 0.5 CG A:ASP322 3.0 18.9 1.0 PB A:ACP501 3.2 25.5 0.5 OD1 A:ASP322 3.3 21.2 1.0 MG A:MG502 3.3 29.3 1.0 PG A:ACP501 3.4 27.3 0.5 PG A:ACP501 3.4 30.8 0.5 PB A:ACP501 3.4 32.4 0.5 O A:HOH1158 3.5 42.6 1.0 C3B A:ACP501 3.7 26.5 0.5 O A:HOH1036 3.7 37.2 1.0 H3B2 A:ACP501 3.8 31.8 0.5 C3B A:ACP501 3.8 31.6 0.5 O A:HOH929 3.9 39.6 1.0 H3B1 A:ACP501 4.0 37.9 0.5 O2A A:ACP501 4.1 31.7 0.5 O1A A:ACP501 4.1 35.9 0.5 O3A A:ACP501 4.1 30.7 0.5 O1B A:ACP501 4.2 26.0 0.5 O3A A:ACP501 4.2 28.9 0.5 O1A A:ACP501 4.3 35.4 0.5 CB A:ASP322 4.3 15.6 1.0 HB2 A:ASP322 4.3 18.8 1.0 O2G A:ACP501 4.3 30.5 0.5 PA A:ACP501 4.3 33.0 0.5 O1G A:ACP501 4.4 31.4 0.5 O2G A:ACP501 4.4 32.8 0.5 HE22 A:GLN310 4.4 17.6 1.0 O1G A:ACP501 4.4 28.4 0.5 O A:HOH1009 4.5 34.9 1.0 OE1 A:GLU324 4.6 43.3 1.0 O1B A:ACP501 4.6 32.1 0.5 HOG2 A:ACP501 4.7 36.6 0.5 H3B1 A:ACP501 4.7 31.8 0.5 HOG2 A:ACP501 4.7 39.3 0.5 HB3 A:ASP322 4.7 18.8 1.0 PA A:ACP501 4.8 34.0 0.5 HZ3 A:LYS149 4.9 34.4 1.0 H3B2 A:ACP501 4.9 37.9 0.5 HB2 A:GLU324 5.0 28.1 1.0

J.Fraga, A.Maranha, V.Mendes, P.J.Pereira, N.Empadinhas, S.Macedo-Ribeiro. Structure of Mycobacterial Maltokinase, the Missing Link in the Essential Glge-Pathway. Sci Rep V. 5 8026 2015.
ISSN: ESSN 2045-2322
PubMed: 25619172
DOI: 10.1038/SREP08026