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Magnesium in PDB 3sae: Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production

Enzymatic activity of Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production

All present enzymatic activity of Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production:
4.2.3.38;

Protein crystallography data

The structure of Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production, PDB code: 3sae was solved by R.P.Mcandrew, P.P.Peralta-Yahya, A.Degiovanni, J.H.Pereira, M.Z.Hadi, J.D.Keasling, P.D.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.27 / 1.96
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 156.091, 54.843, 126.319, 90.00, 119.34, 90.00
R / Rfree (%) 16.1 / 20.5

Other elements in 3sae:

The structure of Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production (pdb code 3sae). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production, PDB code: 3sae:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 3sae

Go back to Magnesium Binding Sites List in 3sae
Magnesium binding site 1 out of 3 in the Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg819

b:34.0
occ:1.00
 O1A A:FPS822 2.0 31.1 0.9
O A:HOH1559 2.1 37.2 1.0
OD2 A:ASP570 2.1 34.5 1.0
O A:HOH999 2.1 29.7 1.0
O A:HOH1107 2.1 30.4 1.0
OD2 A:ASP566 2.2 33.7 1.0
MG A:MG821 2.9 30.2 1.0
CG A:ASP566 2.9 27.2 1.0
CG A:ASP570 3.1 36.8 1.0
OD1 A:ASP566 3.1 26.8 1.0
PA A:FPS822 3.3 33.1 0.9
OD1 A:ASP570 3.4 40.0 1.0
O3A A:FPS822 3.7 40.4 0.9
O A:HOH984 4.0 25.5 1.0
S1 A:FPS822 4.2 46.1 0.9
OD1 A:ASP567 4.2 43.4 1.0
O A:HOH1064 4.3 33.4 1.0
CB A:ASP566 4.3 27.9 1.0
O A:HOH1519 4.3 48.1 1.0
O A:ASP566 4.4 29.0 1.0
CB A:ASP570 4.4 36.4 1.0
O A:HOH899 4.5 29.7 1.0
O2A A:FPS822 4.5 26.4 0.9
C A:ASP566 4.5 29.4 1.0
O A:HOH1560 4.7 32.4 1.0
O A:HOH1563 4.8 71.4 1.0
N A:ASP567 4.9 31.6 1.0
CA A:ASP566 5.0 31.4 1.0
C1 A:FPS822 5.0 32.7 0.9

Magnesium binding site 2 out of 3 in 3sae

Go back to Magnesium Binding Sites List in 3sae
Magnesium binding site 2 out of 3 in the Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg820

b:35.1
occ:1.00
 OE1 A:GLU721 2.0 47.0 1.0
OD1 A:ASP713 2.1 31.3 1.0
O A:HOH1564 2.1 38.0 1.0
O A:HOH885 2.1 37.2 1.0
O A:HOH1405 2.1 36.3 1.0
OG1 A:THR717 2.1 39.4 1.0
CD A:GLU721 3.0 49.9 1.0
CG A:ASP713 3.0 35.9 1.0
CB A:THR717 3.2 37.1 1.0
OD2 A:ASP713 3.3 38.5 1.0
OE2 A:GLU721 3.3 51.7 1.0
NH2 A:ARG710 3.8 34.7 1.0
O A:HOH1563 3.9 71.4 1.0
CG2 A:THR717 3.9 38.0 1.0
O A:ASP713 3.9 34.1 1.0
O3A A:FPS822 4.1 40.4 0.9
C A:ASP713 4.2 31.6 1.0
OD1 A:ASP714 4.3 30.5 1.0
CG A:GLU721 4.3 54.3 1.0
CB A:ASP713 4.4 22.3 1.0
CA A:THR717 4.4 33.2 1.0
C A:THR717 4.5 39.1 1.0
N A:ASP714 4.6 36.2 1.0
O A:HOH1138 4.6 35.8 1.0
CA A:ASP714 4.6 27.8 1.0
O A:THR717 4.8 47.7 1.0
CA A:ASP713 4.9 29.3 1.0
N A:TYR718 4.9 37.6 1.0
N A:THR717 5.0 46.0 1.0

Magnesium binding site 3 out of 3 in 3sae

Go back to Magnesium Binding Sites List in 3sae
Magnesium binding site 3 out of 3 in the Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg821

b:30.2
occ:1.00
 O A:HOH1560 2.1 32.4 1.0
OD1 A:ASP566 2.1 26.8 1.0
O A:HOH984 2.1 25.5 1.0
OD2 A:ASP570 2.1 34.5 1.0
O A:HOH899 2.1 29.7 1.0
O1A A:FPS822 2.1 31.1 0.9
MG A:MG819 2.9 34.0 1.0
CG A:ASP566 3.1 27.2 1.0
CG A:ASP570 3.2 36.8 1.0
PA A:FPS822 3.4 33.1 0.9
OD2 A:ASP566 3.4 33.7 1.0
O2A A:FPS822 3.5 26.4 0.9
CB A:ASP570 3.6 36.4 1.0
O A:HOH1107 4.1 30.4 1.0
O A:HOH1096 4.1 31.4 1.0
OE2 A:GLU644 4.2 44.1 1.0
O A:HOH1519 4.2 48.1 1.0
O A:HOH883 4.2 22.5 1.0
OE1 A:GLU644 4.2 62.3 1.0
OD1 A:ASP570 4.3 40.0 1.0
O3A A:FPS822 4.4 40.4 0.9
O A:ASP566 4.4 29.0 1.0
CB A:ASP566 4.4 27.9 1.0
CE1 A:TYR641 4.4 28.4 1.0
CD A:GLU644 4.6 51.4 1.0
O A:HOH999 4.7 29.7 1.0
CA A:ASP566 4.8 31.4 1.0
O A:HOH1559 4.8 37.2 1.0
C A:ASP566 4.8 29.4 1.0
O A:HOH1416 4.8 51.2 1.0
C1 A:FPS822 4.9 32.7 0.9
S1 A:FPS822 4.9 46.1 0.9
CZ A:TYR641 5.0 27.4 1.0
CA A:ASP570 5.0 41.3 1.0

Reference:

R.P.Mcandrew, P.P.Peralta-Yahya, A.Degiovanni, J.H.Pereira, M.Z.Hadi, J.D.Keasling, P.D.Adams. Structure of A Three-Domain Sesquiterpene Synthase: A Prospective Target For Advanced Biofuels Production. Structure V. 19 1876 2011.
ISSN: ISSN 0969-2126
PubMed: 22153510
DOI: 10.1016/J.STR.2011.09.013
Page generated: Thu Aug 15 10:49:32 2024

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