Magnesium in PDB 3mcn: Crystal Structure of the 6-Hyroxymethyl-7,8-Dihydropterin Pyrophosphokinase Dihydropteroate Synthase Bifunctional Enzyme From Francisella Tularensis

The structure of Crystal Structure of the 6-Hyroxymethyl-7,8-Dihydropterin Pyrophosphokinase Dihydropteroate Synthase Bifunctional Enzyme From Francisella Tularensis, PDB code: 3mcn was solved by C.W.Pemble Iv, P.K.Mehta, S.Mehra, Z.Li, R.E.Lee, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.09 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	42.902, 58.190, 105.077, 91.00, 80.11, 68.29
R / Rfree (%)	22 / 28

The binding sites of Magnesium atom in the Crystal Structure of the 6-Hyroxymethyl-7,8-Dihydropterin Pyrophosphokinase Dihydropteroate Synthase Bifunctional Enzyme From Francisella Tularensis (pdb code 3mcn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of the 6-Hyroxymethyl-7,8-Dihydropterin Pyrophosphokinase Dihydropteroate Synthase Bifunctional Enzyme From Francisella Tularensis, PDB code: 3mcn:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of the 6-Hyroxymethyl-7,8-Dihydropterin Pyrophosphokinase Dihydropteroate Synthase Bifunctional Enzyme From Francisella Tularensis


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 the 6-Hyroxymethyl-7,8-Dihydropterin Pyrophosphokinase Dihydropteroate Synthase Bifunctional Enzyme From Francisella Tularensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg423 b:61.3 occ:1.00 OD1 A:ASP101 2.7 58.2 1.0 OD1 A:ASP103 2.8 40.5 1.0 CG A:ASP103 3.5 37.9 1.0 CG A:ASP101 3.5 54.8 1.0 OD2 A:ASP103 3.5 43.9 1.0 OD2 A:ASP101 3.7 57.1 1.0 NH2 A:ARG88 3.9 58.6 1.0 O A:LEU102 4.2 39.8 1.0 OE2 A:GLU83 4.4 40.0 1.0 C A:LEU102 4.8 34.5 1.0 CB A:ASP103 4.9 31.8 1.0 CB A:ASP101 5.0 40.2 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of the 6-Hyroxymethyl-7,8-Dihydropterin Pyrophosphokinase Dihydropteroate Synthase Bifunctional Enzyme From Francisella Tularensis


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 the 6-Hyroxymethyl-7,8-Dihydropterin Pyrophosphokinase Dihydropteroate Synthase Bifunctional Enzyme From Francisella Tularensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg425 b:38.6 occ:1.00 O9 B:B57424 2.6 44.4 1.0 O B:ASP101 2.8 29.7 1.0 O B:HOH460 3.0 27.1 1.0 OD2 B:ASP103 3.0 40.0 1.0 O B:GLY7 3.2 20.7 1.0 C B:GLY7 3.5 22.6 1.0 O B:HOH453 3.6 26.6 1.0 C B:ASP101 3.6 33.6 1.0 N8 B:B57424 3.6 41.8 1.0 CG B:ASP103 3.6 39.7 1.0 OD2 B:ASP101 3.7 40.2 0.5 N B:GLY9 3.7 27.3 1.0 O10 B:B57424 3.8 38.0 1.0 N B:ILE8 3.9 22.1 1.0 CB B:ASP103 3.9 30.1 1.0 CB B:ASP101 4.0 36.8 0.5 N B:ASP103 4.0 27.6 1.0 CB B:ASP101 4.1 36.6 0.5 CA B:ILE8 4.1 21.9 1.0 C B:ILE8 4.1 25.4 1.0 CA B:GLY7 4.2 20.8 1.0 CG B:ASP101 4.2 41.2 0.5 N B:LEU102 4.2 32.1 1.0 CA B:LEU102 4.2 35.7 1.0 C B:LEU102 4.3 31.5 1.0 CA B:ASP101 4.5 34.9 0.5 CA B:ASP101 4.5 34.8 0.5 CA B:GLY9 4.5 29.4 1.0 OD1 B:ASP103 4.6 41.5 1.0 O B:HOH512 4.6 46.1 1.0 CA B:ASP103 4.7 25.3 1.0 O7 B:B57424 4.7 51.9 1.0 ND2 B:ASN61 4.7 27.1 1.0 O B:HOH452 4.8 20.9 1.0 C6 B:B57424 4.8 42.9 1.0 O B:ILE8 4.9 26.2 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of the 6-Hyroxymethyl-7,8-Dihydropterin Pyrophosphokinase Dihydropteroate Synthase Bifunctional Enzyme From Francisella Tularensis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the 6-Hyroxymethyl-7,8-Dihydropterin Pyrophosphokinase Dihydropteroate Synthase Bifunctional Enzyme From Francisella Tularensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg426 b:48.9 occ:1.00 OD1 B:ASP103 2.6 41.5 1.0 OD1 B:ASP101 2.8 43.4 0.5 O B:LEU102 3.0 29.4 1.0 OE1 B:GLU83 3.4 38.5 1.0 CG B:ASP101 3.5 41.2 0.5 OD2 B:ASP101 3.6 40.2 0.5 CG B:ASP103 3.6 39.7 1.0 C B:LEU102 3.9 31.5 1.0 O B:HOH512 4.0 46.1 1.0 NH2 B:ARG98 4.1 49.8 1.0 OD2 B:ASP103 4.2 40.0 1.0 N B:LEU102 4.3 32.1 1.0 CD B:GLU83 4.3 37.3 1.0 OE2 B:GLU83 4.5 42.1 1.0 NH1 B:ARG98 4.6 57.6 1.0 CZ B:ARG98 4.7 56.0 1.0 CA B:LEU102 4.8 35.7 1.0 N B:ASP103 4.8 27.6 1.0 CA B:ASP103 4.8 25.3 1.0 CB B:ASP101 4.8 36.8 0.5 CB B:ASP101 4.8 36.6 0.5 CB B:ASP103 4.8 30.1 1.0 C B:ASP101 4.9 33.6 1.0 CA B:ASP101 4.9 34.9 0.5 CA B:ASP101 4.9 34.8 0.5

C.W.Pemble, P.K.Mehta, S.Mehra, Z.Li, A.Nourse, R.E.Lee, S.W.White. Crystal Structure of the 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase.Dihydropteroate Synthase Bifunctional Enzyme From Francisella Tularensis. Plos One V. 5 14165 2010.
ISSN: ESSN 1932-6203
PubMed: 21152407
DOI: 10.1371/JOURNAL.PONE.0014165