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Magnesium in PDB 3sdu: 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: 3sdu 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) 48.34 / 1.89
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 156.327, 54.994, 126.330, 90.00, 119.30, 90.00
R / Rfree (%) 16.7 / 20.5

Other elements in 3sdu:

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 3sdu). 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: 3sdu:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 3sdu

Go back to Magnesium Binding Sites List in 3sdu
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:42.6
occ:0.90
 O3A A:GST823 2.0 28.4 0.8
O A:HOH1553 2.1 35.8 1.0
OD2 A:ASP570 2.1 37.9 1.0
O A:HOH1520 2.1 39.9 1.0
OD2 A:ASP566 2.2 41.1 1.0
S1 A:GST823 2.8 91.7 0.8
CG A:ASP566 2.9 39.1 1.0
CG A:ASP570 3.0 45.5 1.0
OD1 A:ASP566 3.0 40.0 1.0
MG A:MG821 3.0 39.3 0.9
PA A:GST823 3.1 39.2 0.8
O1B A:GST823 3.2 83.1 0.8
OD1 A:ASP570 3.3 49.2 1.0
PB A:GST823 3.6 47.9 0.8
O A:HOH1217 3.8 39.1 1.0
O2A A:GST823 3.9 47.1 0.8
O A:HOH1550 4.3 36.3 1.0
CB A:ASP570 4.3 50.5 1.0
CB A:ASP566 4.4 31.1 1.0
O1A A:GST823 4.4 36.4 0.8
O A:ASP566 4.4 31.3 1.0
O3B A:GST823 4.6 70.4 0.8
C1 A:GST823 4.6 70.5 0.8
OD1 A:ASP567 4.6 49.0 1.0
C A:ASP566 4.6 33.6 1.0
O A:HOH1552 4.6 51.0 1.0
O2B A:GST823 4.7 52.8 0.8

Magnesium binding site 2 out of 3 in 3sdu

Go back to Magnesium Binding Sites List in 3sdu
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:39.8
occ:0.90
 OE2 A:GLU721 2.0 43.8 1.0
O A:HOH1549 2.1 41.3 1.0
O A:HOH1039 2.1 41.7 1.0
O A:HOH1017 2.1 35.6 1.0
OD1 A:ASP713 2.1 38.4 1.0
OG1 A:THR717 2.2 42.7 1.0
CD A:GLU721 3.0 47.3 1.0
CG A:ASP713 3.2 38.8 1.0
OE1 A:GLU721 3.3 48.5 1.0
CB A:THR717 3.4 39.5 1.0
OD2 A:ASP713 3.5 36.5 1.0
NH2 A:ARG710 3.9 37.2 1.0
O A:ASP713 4.1 32.2 1.0
CG2 A:THR717 4.1 36.1 1.0
O1B A:GST823 4.2 83.1 0.8
OD1 A:ASP714 4.3 36.1 1.0
C A:ASP713 4.3 31.5 1.0
CG A:GLU721 4.4 49.6 1.0
O1A A:GST823 4.4 36.4 0.8
CB A:ASP713 4.5 29.7 1.0
CA A:THR717 4.5 40.2 1.0
O2B A:GST823 4.6 52.8 0.8
C A:THR717 4.6 45.6 1.0
N A:ASP714 4.7 28.6 1.0
CA A:ASP714 4.7 31.4 1.0
O A:THR717 4.9 48.0 1.0
O A:HOH1301 4.9 41.5 1.0
O A:HOH1554 4.9 55.7 1.0
PA A:GST823 5.0 39.2 0.8

Magnesium binding site 3 out of 3 in 3sdu

Go back to Magnesium Binding Sites List in 3sdu
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:39.3
occ:0.90
 O A:HOH1550 2.1 36.3 1.0
O A:HOH1552 2.1 51.0 1.0
O A:HOH1217 2.1 39.1 1.0
OD1 A:ASP566 2.1 40.0 1.0
OD2 A:ASP570 2.2 37.9 1.0
O3A A:GST823 2.3 28.4 0.8
MG A:MG819 3.0 42.6 0.9
CG A:ASP566 3.2 39.1 1.0
CG A:ASP570 3.3 45.5 1.0
OD2 A:ASP566 3.6 41.1 1.0
PA A:GST823 3.8 39.2 0.8
CB A:ASP570 3.8 50.5 1.0
OE2 A:GLU644 3.8 41.2 1.0
CE1 A:TYR641 4.1 32.1 1.0
O1A A:GST823 4.2 36.4 0.8
OE1 A:GLU644 4.2 54.3 1.0
O A:HOH935 4.2 26.0 1.0
O A:HOH1520 4.3 39.9 1.0
CD A:GLU644 4.3 49.8 1.0
OD1 A:ASP570 4.4 49.2 1.0
O A:ASP566 4.4 31.3 1.0
CB A:ASP566 4.5 31.1 1.0
O2A A:GST823 4.5 47.1 0.8
CD1 A:TYR641 4.6 34.1 1.0
CZ A:TYR641 4.7 30.3 1.0
O A:HOH1553 4.8 35.8 1.0
CA A:ASP566 4.8 32.7 1.0
OH A:TYR641 4.8 29.3 1.0
O1B A:GST823 4.9 83.1 0.8
C A:ASP566 4.9 33.6 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 10:52:55 2024

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