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

Enzymatic activity of 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;

Protein crystallography data

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

Magnesium Binding Sites:

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 4u98

Go back to Magnesium Binding Sites List in 4u98
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 4u98

Go back to Magnesium Binding Sites List in 4u98
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

Reference:

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
Page generated: Mon Dec 14 19:36:18 2020

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