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Magnesium in PDB 3r76: Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate and Glutamine

Enzymatic activity of Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate and Glutamine

All present enzymatic activity of Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate and Glutamine:
4.1.3.27;

Protein crystallography data

The structure of Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate and Glutamine, PDB code: 3r76 was solved by Q.A.Li, D.V.Mavrodi, L.S.Thomashow, M.Roessle, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.66 / 2.60
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 258.166, 97.792, 53.988, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 22.5

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate and Glutamine (pdb code 3r76). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate and Glutamine, PDB code: 3r76:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3r76

Go back to Magnesium Binding Sites List in 3r76
Magnesium binding site 1 out of 2 in the Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate and Glutamine


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 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate and Glutamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg700

b:45.6
occ:1.00
 O A:HOH668 1.9 51.2 1.0
O A:HOH657 2.0 48.8 1.0
OE2 A:GLU382 2.0 42.0 1.0
OE1 A:GLU244 2.2 39.1 1.0
O1 A:BEZ701 2.3 33.7 1.0
O2 A:BEZ701 2.3 36.2 1.0
C A:BEZ701 2.7 35.9 1.0
CD A:GLU382 2.9 39.4 1.0
OE1 A:GLU382 3.0 40.0 1.0
CD A:GLU244 3.1 42.2 1.0
OE2 A:GLU244 3.2 43.6 1.0
NZ A:LYS240 3.7 30.1 1.0
OE1 A:GLU379 4.0 39.6 1.0
C1 A:BEZ701 4.2 34.8 1.0
OG1 A:THR219 4.2 31.9 1.0
O A:THR369 4.3 37.9 1.0
N A:GLY218 4.3 30.8 1.0
N A:THR369 4.3 39.1 1.0
CG A:GLU382 4.3 39.9 1.0
OE1 A:GLU241 4.4 46.8 1.0
CB A:THR219 4.5 31.7 1.0
CA A:GLY218 4.5 33.2 1.0
CG A:GLU244 4.5 41.1 1.0
CB A:THR369 4.5 34.2 1.0
N A:THR219 4.5 30.8 1.0
CB A:SER368 4.5 41.3 1.0
OG A:SER217 4.6 39.2 1.0
NZ A:LYS386 4.6 55.6 1.0
OE2 A:GLU379 4.8 36.7 1.0
C A:GLY218 4.8 32.1 1.0
CD A:GLU379 4.8 38.9 1.0
CA A:THR369 4.9 36.0 1.0

Magnesium binding site 2 out of 2 in 3r76

Go back to Magnesium Binding Sites List in 3r76
Magnesium binding site 2 out of 2 in the Crystal Structure of 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate and Glutamine


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 2-Amino-2-Desoxyisochorismate Synthase (Adic) Synthase Phze From Burkholderia Lata 383 in Complex with Benzoate, Pyruvate and Glutamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg700

b:40.6
occ:1.00
 O B:HOH692 1.9 54.9 1.0
O B:HOH663 2.0 55.2 1.0
OE2 B:GLU382 2.1 38.6 1.0
OE1 B:GLU244 2.1 43.9 1.0
O1 B:BEZ701 2.2 40.5 1.0
O2 B:BEZ701 2.2 41.0 1.0
C B:BEZ701 2.5 41.0 1.0
CD B:GLU244 3.0 48.2 1.0
CD B:GLU382 3.0 41.5 1.0
OE2 B:GLU244 3.2 49.8 1.0
OE1 B:GLU382 3.3 40.9 1.0
NZ B:LYS240 3.7 42.3 1.0
C1 B:BEZ701 4.0 38.8 1.0
OG1 B:THR219 4.1 32.8 1.0
N B:GLY218 4.1 37.4 1.0
O B:THR369 4.2 47.1 1.0
OE1 B:GLU379 4.2 59.0 1.0
N B:THR369 4.3 42.5 1.0
CA B:GLY218 4.3 38.2 1.0
CB B:THR369 4.4 39.5 1.0
OE1 B:GLU241 4.4 63.6 1.0
CG B:GLU244 4.4 42.5 1.0
CG B:GLU382 4.4 41.1 1.0
CB B:THR219 4.5 35.1 1.0
N B:THR219 4.5 39.0 1.0
OG B:SER217 4.5 45.8 1.0
NZ B:LYS386 4.5 53.0 1.0
C B:GLY218 4.7 43.8 1.0
CB B:SER368 4.7 48.0 1.0
CA B:THR369 4.8 41.0 1.0
C2 B:BEZ701 4.9 40.0 1.0
OG1 B:THR369 4.9 47.6 1.0
C6 B:BEZ701 4.9 41.6 1.0
C B:THR369 5.0 41.1 1.0
OE2 B:GLU379 5.0 45.8 1.0

Reference:

Q.A.Li, D.V.Mavrodi, L.S.Thomashow, M.Roessle, W.Blankenfeldt. Ligand Binding Induces An Ammonia Channel in 2-Amino-2-Desoxyisochorismate (Adic) Synthase Phze. J.Biol.Chem. V. 286 18213 2011.
ISSN: ISSN 0021-9258
PubMed: 21454481
DOI: 10.1074/JBC.M110.183418
Page generated: Thu Aug 15 10:19:36 2024

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