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

Protein crystallography data

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

Magnesium Binding Sites:

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 3mcn

Go back to Magnesium Binding Sites List in 3mcn
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 3mcn

Go back to Magnesium Binding Sites List in 3mcn
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 3mcn

Go back to Magnesium Binding Sites List in 3mcn
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

Reference:

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
Page generated: Mon Dec 14 08:25:51 2020

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