Magnesium in PDB 3mco: 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: 3mco 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)	38.25 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	42.521, 58.472, 109.327, 82.00, 81.00, 68.08
R / Rfree (%)	24.1 / 29.4

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 3mco). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 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: 3mco:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 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:Mg426 b:35.8 occ:1.00 O1B A:APC425 2.1 27.2 1.0 O1A A:APC425 2.3 40.0 1.0 O A:HOH456 2.3 28.5 1.0 OD1 A:ASP103 2.3 24.9 1.0 OD1 A:ASP101 2.5 37.2 1.0 CG A:ASP103 3.1 26.2 1.0 PA A:APC425 3.3 29.6 1.0 PB A:APC425 3.3 30.1 1.0 OD2 A:ASP103 3.4 24.3 1.0 MG A:MG427 3.5 36.0 1.0 CG A:ASP101 3.5 30.6 1.0 C3A A:APC425 3.7 29.7 1.0 O5' A:APC425 3.7 33.1 1.0 OD2 A:ASP101 3.8 33.2 1.0 NH2 A:ARG98 4.0 43.0 1.0 O2B A:APC425 4.2 29.7 1.0 O1G A:APC425 4.2 24.9 1.0 NH2 A:ARG88 4.2 43.0 1.0 O A:LEU102 4.3 26.0 1.0 CB A:ASP103 4.4 26.6 1.0 C2 A:APC425 4.4 24.6 1.0 OE1 A:GLU83 4.4 36.9 1.0 O3B A:APC425 4.5 30.9 1.0 N3 A:APC425 4.5 26.6 1.0 NZ A:LYS80 4.6 40.8 1.0 O2A A:APC425 4.6 35.1 1.0 O3G A:APC425 4.6 28.4 1.0 C A:LEU102 4.6 30.2 1.0 PG A:APC425 4.7 33.0 1.0 CA A:ASP103 4.8 25.5 1.0 N A:ASP103 4.9 29.5 1.0 CB A:ASP101 4.9 28.0 1.0 N A:LEU102 4.9 28.7 1.0 C5' A:APC425 5.0 34.7 1.0

Magnesium binding site 2 out of 4 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 A:Mg427 b:36.0 occ:1.00 OD2 A:ASP101 2.1 33.2 1.0 O3G A:APC425 2.2 28.4 1.0 O4 A:PH2423 2.2 35.1 1.0 OD2 A:ASP103 2.3 24.3 1.0 O1B A:APC425 2.4 27.2 1.0 CG A:ASP101 3.1 30.6 1.0 CG A:ASP103 3.3 26.2 1.0 OD1 A:ASP101 3.4 37.2 1.0 PG A:APC425 3.4 33.0 1.0 PB A:APC425 3.4 30.1 1.0 OD1 A:ASP103 3.5 24.9 1.0 C11 A:PH2423 3.5 36.3 1.0 MG A:MG426 3.5 35.8 1.0 O3B A:APC425 3.7 30.9 1.0 O1G A:APC425 3.8 24.9 1.0 O2B A:APC425 3.8 29.7 1.0 NH1 A:ARG127 4.1 19.7 1.0 N1 A:PH2423 4.2 24.3 1.0 C2 A:PH2423 4.3 33.8 1.0 NH2 A:ARG98 4.4 43.0 1.0 CB A:ASP101 4.4 28.0 1.0 CB A:ASP103 4.6 26.6 1.0 O2G A:APC425 4.7 32.3 1.0 O1A A:APC425 5.0 40.0 1.0

Magnesium binding site 3 out of 4 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:30.3 occ:1.00 O1B B:APC425 2.0 32.6 1.0 O1A B:APC425 2.2 35.2 1.0 OD1 B:ASP101 2.2 34.4 1.0 OD1 B:ASP103 2.4 26.8 1.0 O B:HOH438 2.4 24.5 1.0 CG B:ASP101 3.0 32.1 1.0 OD2 B:ASP101 3.1 34.6 1.0 PA B:APC425 3.2 33.3 1.0 CG B:ASP103 3.2 27.9 1.0 PB B:APC425 3.2 31.7 1.0 OD2 B:ASP103 3.4 25.9 1.0 C3A B:APC425 3.5 30.9 1.0 O5' B:APC425 3.6 35.6 1.0 NZ B:LYS80 3.9 41.3 1.0 O2B B:APC425 3.9 30.3 1.0 OE1 B:GLU83 4.1 40.0 1.0 O3G B:APC425 4.3 31.7 1.0 O B:LEU102 4.3 20.8 1.0 O1G B:APC425 4.3 28.6 1.0 O3B B:APC425 4.4 30.0 1.0 CB B:ASP101 4.4 26.9 1.0 N3 B:APC425 4.5 34.7 1.0 O2A B:APC425 4.5 35.8 1.0 C2 B:APC425 4.6 30.8 1.0 CB B:ASP103 4.6 29.1 1.0 MG B:MG427 4.6 38.1 1.0 PG B:APC425 4.6 32.3 1.0 C B:LEU102 4.7 29.9 1.0 NH2 B:ARG98 4.8 40.7 1.0 N B:LEU102 4.9 28.2 1.0 CA B:ASP101 4.9 31.2 1.0 O4 B:PH2423 4.9 33.1 1.0 C5' B:APC425 4.9 38.3 1.0 CA B:ASP103 4.9 25.5 1.0 CE B:LYS80 5.0 38.5 1.0

Magnesium binding site 4 out of 4 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 4 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:Mg427 b:38.1 occ:1.00 O4 B:PH2423 2.4 33.1 1.0 OD2 B:ASP101 2.5 34.6 1.0 OD2 B:ASP103 2.5 25.9 1.0 O3G B:APC425 2.6 31.7 1.0 NH1 B:ARG127 3.3 26.4 1.0 C11 B:PH2423 3.4 31.4 1.0 N1 B:PH2423 3.5 28.8 1.0 O1B B:APC425 3.5 32.6 1.0 CG B:ASP101 3.6 32.1 1.0 CG B:ASP103 3.7 27.9 1.0 C2 B:PH2423 3.8 37.0 1.0 PG B:APC425 4.0 32.3 1.0 OD1 B:ASP103 4.3 26.8 1.0 O3B B:APC425 4.4 30.0 1.0 CZ B:ARG127 4.4 34.2 1.0 O8 B:PH2423 4.4 30.3 1.0 CB B:ASP101 4.4 26.9 1.0 PB B:APC425 4.4 31.7 1.0 OD1 B:ASP101 4.5 34.4 1.0 C9 B:PH2423 4.5 25.7 1.0 MG B:MG426 4.6 30.3 1.0 CB B:ASP103 4.7 29.1 1.0 NH2 B:ARG127 4.7 33.7 1.0 O2B B:APC425 4.7 30.3 1.0 O2G B:APC425 4.8 30.3 1.0 O1G B:APC425 4.9 28.6 1.0 C8 B:PH2423 4.9 29.5 1.0 NH1 B:ARG98 5.0 34.5 1.0 CE1 B:PHE129 5.0 30.9 1.0

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