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Magnesium in PDB 3sdt: 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: 3sdt 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) 38.30 / 1.89
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 156.492, 54.406, 126.511, 90.00, 119.37, 90.00
R / Rfree (%) 16.8 / 20.6

Other elements in 3sdt:

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

Magnesium binding site 1 out of 3 in 3sdt

Go back to Magnesium Binding Sites List in 3sdt
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:31.1
occ:1.00
 O10 A:AHD822 2.0 33.9 1.0
O15 A:AHD822 2.0 27.1 1.0
O A:HOH1431 2.0 30.3 1.0
O A:HOH1399 2.1 29.9 1.0
OD2 A:ASP566 2.2 34.4 1.0
OD2 A:ASP570 2.2 36.4 1.0
CG A:ASP566 3.1 38.2 1.0
MG A:MG821 3.1 29.4 1.0
CG A:ASP570 3.2 38.2 1.0
P14 A:AHD822 3.2 35.3 1.0
P9 A:AHD822 3.3 35.9 1.0
OD1 A:ASP566 3.4 30.8 1.0
OD1 A:ASP570 3.5 39.6 1.0
O16 A:AHD822 3.8 36.5 1.0
O12 A:AHD822 3.8 42.1 1.0
C8 A:AHD822 3.8 38.3 1.0
C2 A:AHD822 4.0 33.3 1.0
OD1 A:ASP567 4.2 47.6 1.0
O A:HOH1432 4.2 53.2 1.0
O A:HOH1356 4.3 53.2 1.0
O A:HOH1288 4.3 28.7 1.0
CB A:ASP566 4.4 30.3 1.0
O17 A:AHD822 4.4 29.9 1.0
O11 A:AHD822 4.5 34.2 1.0
C7 A:AHD822 4.5 30.0 1.0
CB A:ASP570 4.5 38.0 1.0
O A:HOH1153 4.5 31.2 1.0
O A:ASP566 4.5 32.6 1.0
C A:ASP566 4.6 33.1 1.0
MG A:MG820 4.8 37.4 1.0
N A:ASP567 4.9 33.5 1.0
O A:HOH1287 4.9 28.5 1.0
O13 A:AHD822 5.0 36.4 1.0

Magnesium binding site 2 out of 3 in 3sdt

Go back to Magnesium Binding Sites List in 3sdt
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:37.4
occ:1.00
 O12 A:AHD822 2.0 42.1 1.0
O A:HOH1376 2.0 41.1 1.0
O A:HOH1286 2.1 40.2 1.0
O A:HOH1156 2.1 42.0 1.0
O16 A:AHD822 2.1 36.5 1.0
O13 A:AHD822 2.2 36.4 1.0
C8 A:AHD822 2.8 38.3 1.0
P9 A:AHD822 3.0 35.9 1.0
P14 A:AHD822 3.1 35.3 1.0
O A:HOH1399 3.8 29.9 1.0
O11 A:AHD822 4.0 34.2 1.0
O10 A:AHD822 4.1 33.9 1.0
O17 A:AHD822 4.1 29.9 1.0
OD1 A:ASP713 4.1 44.5 1.0
O15 A:AHD822 4.2 27.1 1.0
C7 A:AHD822 4.2 30.0 1.0
O A:HOH1199 4.3 39.6 1.0
OD2 A:ASP713 4.5 36.8 1.0
O A:HOH1052 4.5 46.7 1.0
NH2 A:ARG710 4.6 35.5 1.0
OG1 A:THR717 4.7 47.3 1.0
O A:HOH1187 4.7 51.6 1.0
CG A:ASP713 4.7 40.1 1.0
MG A:MG819 4.8 31.1 1.0

Magnesium binding site 3 out of 3 in 3sdt

Go back to Magnesium Binding Sites List in 3sdt
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:29.4
occ:1.00
 OD1 A:ASP566 2.0 30.8 1.0
O A:HOH1287 2.0 28.5 1.0
O15 A:AHD822 2.1 27.1 1.0
O A:HOH1288 2.1 28.7 1.0
O A:HOH1153 2.1 31.2 1.0
OD2 A:ASP570 2.1 36.4 1.0
CG A:ASP566 3.0 38.2 1.0
MG A:MG819 3.1 31.1 1.0
CG A:ASP570 3.1 38.2 1.0
P14 A:AHD822 3.3 35.3 1.0
OD2 A:ASP566 3.3 34.4 1.0
O17 A:AHD822 3.4 29.9 1.0
CB A:ASP570 3.5 38.0 1.0
O A:HOH1399 3.9 29.9 1.0
OE2 A:GLU644 4.0 54.9 1.0
O16 A:AHD822 4.1 36.5 1.0
O A:HOH901 4.2 24.2 1.0
OD1 A:ASP570 4.2 39.6 1.0
O A:ASP566 4.3 32.6 1.0
CB A:ASP566 4.3 30.3 1.0
CE1 A:TYR641 4.4 29.8 1.0
C2 A:AHD822 4.4 33.3 1.0
O A:HOH1199 4.4 39.6 1.0
O10 A:AHD822 4.6 33.9 1.0
CD A:GLU644 4.7 58.5 1.0
O A:HOH1431 4.7 30.3 1.0
CA A:ASP566 4.7 31.6 1.0
OE1 A:GLU644 4.7 61.4 1.0
C A:ASP566 4.7 33.1 1.0
C8 A:AHD822 4.8 38.3 1.0
CA A:ASP570 4.9 40.1 1.0
CZ A:TYR641 5.0 25.0 1.0
OH A:TYR641 5.0 29.2 1.0
CD1 A:TYR641 5.0 34.8 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 10:52:08 2024

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