Magnesium in PDB 4ks0: Pyruvate Kinase (Pyk) From Trypanosoma Cruzi in the Presence of Magnesium, Oxalate and F26BP

All present enzymatic activity of Pyruvate Kinase (Pyk) From Trypanosoma Cruzi in the Presence of Magnesium, Oxalate and F26BP:
2.7.1.40;

The structure of Pyruvate Kinase (Pyk) From Trypanosoma Cruzi in the Presence of Magnesium, Oxalate and F26BP, PDB code: 4ks0 was solved by H.P.Morgan, W.Zhong, I.W.Mcnae, P.A.M.Michels, L.A.Fothergill-Gilmore, M.D.Walkinshaw, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.87 / 2.80
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	173.767, 173.767, 211.855, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 21.6

The structure of Pyruvate Kinase (Pyk) From Trypanosoma Cruzi in the Presence of Magnesium, Oxalate and F26BP also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Magnesium atom in the Pyruvate Kinase (Pyk) From Trypanosoma Cruzi in the Presence of Magnesium, Oxalate and F26BP (pdb code 4ks0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Pyruvate Kinase (Pyk) From Trypanosoma Cruzi in the Presence of Magnesium, Oxalate and F26BP, PDB code: 4ks0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Pyruvate Kinase (Pyk) From Trypanosoma Cruzi in the Presence of Magnesium, Oxalate and F26BP


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pyruvate Kinase (Pyk) From Trypanosoma Cruzi in the Presence of Magnesium, Oxalate and F26BP within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:35.2 occ:1.00 OE1 A:GLU241 1.8 46.1 1.0 O4 A:OXL1003 2.1 54.7 1.0 O A:HOH1215 2.1 32.2 1.0 O A:HOH1216 2.2 49.0 1.0 OD2 A:ASP265 2.4 54.0 1.0 O1 A:OXL1003 2.4 64.5 1.0 CD A:GLU241 2.7 47.2 1.0 C2 A:OXL1003 2.9 65.3 1.0 C1 A:OXL1003 3.0 63.4 1.0 OE2 A:GLU241 3.1 46.6 1.0 CG A:ASP265 3.4 52.6 1.0 CB A:ASP265 3.7 50.1 1.0 NZ A:LYS239 4.0 43.6 1.0 CG A:GLU241 4.0 46.1 1.0 O A:HOH1220 4.1 54.7 1.0 O2 A:OXL1003 4.1 58.4 1.0 CZ A:PHE213 4.2 51.2 1.0 O3 A:OXL1003 4.2 62.8 1.0 CE A:LYS239 4.4 42.7 1.0 N A:ASP265 4.5 47.4 1.0 CE2 A:PHE213 4.5 51.2 1.0 OD1 A:ASP265 4.5 53.5 1.0 CB A:ALA262 4.6 44.6 1.0 CE1 A:PHE213 4.6 51.4 1.0 O A:HOH1223 4.7 60.1 1.0 CA A:ASP265 4.7 48.3 1.0 CB A:GLU241 4.8 46.2 1.0

Magnesium binding site 2 out of 2 in the Pyruvate Kinase (Pyk) From Trypanosoma Cruzi in the Presence of Magnesium, Oxalate and F26BP


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Pyruvate Kinase (Pyk) From Trypanosoma Cruzi in the Presence of Magnesium, Oxalate and F26BP within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:44.6 occ:1.00 OE2 B:GLU241 1.9 44.4 1.0 O4 B:OXL1003 2.1 46.2 1.0 O B:HOH1216 2.1 41.8 1.0 OD2 B:ASP265 2.1 43.7 1.0 O B:HOH1215 2.2 33.4 1.0 O1 B:OXL1003 2.3 47.8 1.0 C2 B:OXL1003 2.9 46.1 1.0 CD B:GLU241 2.9 45.7 1.0 C1 B:OXL1003 3.0 46.1 1.0 CG B:ASP265 3.3 44.9 1.0 OE1 B:GLU241 3.3 45.2 1.0 CB B:ASP265 3.9 43.9 1.0 NZ B:LYS239 3.9 36.1 1.0 O B:HOH1179 4.0 25.2 1.0 O2 B:OXL1003 4.1 44.1 1.0 CZ B:PHE213 4.2 47.4 1.0 CE B:LYS239 4.2 36.9 1.0 O3 B:OXL1003 4.2 42.2 1.0 CG B:GLU241 4.2 45.1 1.0 OD1 B:ASP265 4.3 46.0 1.0 O B:HOH1221 4.4 46.8 1.0 CB B:GLU241 4.5 43.4 1.0 CE1 B:PHE213 4.6 46.3 1.0 CE2 B:PHE213 4.6 46.7 1.0 CB B:ALA262 4.7 38.6 1.0 O B:HOH1227 4.7 37.6 1.0 N B:ASP265 4.7 41.3 1.0 CA B:ASP265 4.9 42.5 1.0

H.P.Morgan, W.Zhong, I.W.Mcnae, P.A.M.Michels, L.A.Fothergill-Gilmore, M.D.Walkinshaw. Structures of Pyruvate Kinases Display Evolutionarily Divergent Allosteric Strategies. R Soc Open Sci. 2014.
ISSN: ESSN 2054-5703
DOI: 10.1098/RSOS.140120