Atomistry » Magnesium » PDB 6ako-6asu » 6aps
Atomistry »
  Magnesium »
    PDB 6ako-6asu »
      6aps »

Magnesium in PDB 6aps: Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-((Guanine-9H-Yl)Methyl)Propane-1,3 Diyl)Bis(Oxy) ]Bis(Methylene))Diphosphonic Acid

Enzymatic activity of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-((Guanine-9H-Yl)Methyl)Propane-1,3 Diyl)Bis(Oxy) ]Bis(Methylene))Diphosphonic Acid

All present enzymatic activity of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-((Guanine-9H-Yl)Methyl)Propane-1,3 Diyl)Bis(Oxy) ]Bis(Methylene))Diphosphonic Acid:
2.4.2.8;

Protein crystallography data

The structure of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-((Guanine-9H-Yl)Methyl)Propane-1,3 Diyl)Bis(Oxy) ]Bis(Methylene))Diphosphonic Acid, PDB code: 6aps was solved by D.Teran, L.W.Guddat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.58 / 1.76
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 116.013, 93.885, 44.715, 90.00, 107.80, 90.00
R / Rfree (%) 15.8 / 19.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-((Guanine-9H-Yl)Methyl)Propane-1,3 Diyl)Bis(Oxy) ]Bis(Methylene))Diphosphonic Acid (pdb code 6aps). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-((Guanine-9H-Yl)Methyl)Propane-1,3 Diyl)Bis(Oxy) ]Bis(Methylene))Diphosphonic Acid, PDB code: 6aps:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6aps

Go back to Magnesium Binding Sites List in 6aps
Magnesium binding site 1 out of 2 in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-((Guanine-9H-Yl)Methyl)Propane-1,3 Diyl)Bis(Oxy) ]Bis(Methylene))Diphosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-((Guanine-9H-Yl)Methyl)Propane-1,3 Diyl)Bis(Oxy) ]Bis(Methylene))Diphosphonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:65.1
occ:1.00
 O A:HOH516 2.3 53.2 1.0
OAH A:SV2301 2.3 47.8 1.0
O A:HOH526 2.3 40.9 1.0
O A:HOH416 2.5 47.6 1.0
OD1 A:ASP173 2.7 20.9 1.0
O A:HOH405 3.0 51.9 1.0
O A:HOH536 3.0 43.6 1.0
PBA A:SV2301 3.3 42.3 1.0
OAD A:SV2301 3.4 45.7 1.0
OAS A:SV2301 3.5 29.9 1.0
CG A:ASP173 3.6 23.8 1.0
OD2 A:ASP173 3.7 20.3 1.0
CAM A:SV2301 3.9 35.7 1.0
NH1 A:ARG179 4.4 14.6 1.0
OAG A:SV2301 4.7 42.0 1.0
NH2 A:ARG179 4.7 11.7 1.0
CAK A:SV2301 4.7 25.6 1.0
N3 A:SV2301 4.8 15.0 1.0
O A:ASP173 5.0 16.3 1.0
O A:HOH472 5.0 33.7 1.0

Magnesium binding site 2 out of 2 in 6aps

Go back to Magnesium Binding Sites List in 6aps
Magnesium binding site 2 out of 2 in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-((Guanine-9H-Yl)Methyl)Propane-1,3 Diyl)Bis(Oxy) ]Bis(Methylene))Diphosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-((Guanine-9H-Yl)Methyl)Propane-1,3 Diyl)Bis(Oxy) ]Bis(Methylene))Diphosphonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg302

b:40.5
occ:1.00
 O B:HOH409 2.0 36.3 1.0
O B:HOH510 2.2 35.5 1.0
OAG B:SV2301 2.2 38.1 1.0
OD1 B:ASP173 2.2 17.9 1.0
O B:HOH416 2.8 98.8 1.0
CG B:ASP173 3.1 21.2 1.0
OD2 B:ASP173 3.2 17.5 1.0
PBA B:SV2301 3.4 34.9 1.0
O B:HOH447 3.6 20.7 0.4
O B:HOH536 3.8 41.1 1.0
OAD B:SV2301 3.8 38.4 1.0
OAS B:SV2301 3.8 26.8 1.0
NH2 B:ARG179 3.9 14.9 1.0
CAM B:SV2301 4.1 29.8 1.0
NH1 B:ARG179 4.3 14.1 1.0
CB B:ASP173 4.5 10.9 1.0
CZ B:ARG179 4.6 13.5 1.0
O B:ASP173 4.6 14.7 1.0
OAH B:SV2301 4.7 31.9 1.0
N3 B:SV2301 4.8 14.8 1.0
O B:HOH447 4.8 20.0 0.6
N2 B:SV2301 4.8 14.5 1.0
N B:ASP173 4.8 10.6 1.0
NE2 B:GLN176 4.8 20.4 1.0

Reference:

E.Dolezelova, D.Teran, O.Gahura, Z.Kotrbova, M.Prochazkova, D.Keough, P.Spacek, D.Hockova, L.Guddat, A.Zikova. Evaluation of the Trypanosoma Brucei 6-Oxopurine Salvage Pathway As A Potential Target For Drug Discovery. Plos Negl Trop Dis V. 12 06301 2018.
ISSN: ESSN 1935-2735
PubMed: 29481567
DOI: 10.1371/JOURNAL.PNTD.0006301
Page generated: Mon Sep 30 19:16:17 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy