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Magnesium in PDB 3sdr: 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: 3sdr 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) 38.29 / 1.86
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 156.458, 54.479, 126.607, 90.00, 119.37, 90.00
R / Rfree (%) 17.9 / 21.2

Other elements in 3sdr:

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

Magnesium binding site 1 out of 3 in 3sdr

Go back to Magnesium Binding Sites List in 3sdr
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:39.1
occ:0.90
 O9 A:210822 1.9 36.2 0.9
O A:HOH1320 2.0 36.6 1.0
O5 A:210822 2.1 43.9 0.9
O A:HOH1321 2.1 34.4 1.0
OD2 A:ASP566 2.1 44.4 1.0
OD2 A:ASP570 2.2 41.9 1.0
CG A:ASP566 3.0 42.3 1.0
P8 A:210822 3.0 48.0 0.9
MG A:MG821 3.0 33.1 0.9
P1 A:210822 3.1 47.4 0.9
CG A:ASP570 3.2 45.6 1.0
OD1 A:ASP566 3.3 38.2 1.0
C7 A:210822 3.5 73.7 0.9
OD1 A:ASP570 3.5 46.9 1.0
O10 A:210822 3.6 41.9 0.9
C16 A:210822 3.6 67.8 0.9
O2 A:210822 3.7 80.6 0.9
O A:HOH1322 4.1 39.2 1.0
OD1 A:ASP567 4.3 52.6 1.0
CB A:ASP566 4.3 38.7 1.0
O12 A:210822 4.4 44.5 0.9
O A:HOH1324 4.4 39.2 1.0
O3 A:210822 4.5 43.5 0.9
CB A:ASP570 4.5 49.5 1.0
O A:ASP566 4.5 40.1 1.0
C A:ASP566 4.6 39.4 1.0
O14 A:210822 4.8 77.9 0.9
O A:HOH1323 4.9 36.9 1.0
N A:ASP567 5.0 41.4 1.0

Magnesium binding site 2 out of 3 in 3sdr

Go back to Magnesium Binding Sites List in 3sdr
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:56.5
occ:0.90
 O2 A:210822 2.0 80.6 0.9
O A:HOH1319 2.1 75.3 1.0
O A:HOH1318 2.1 58.2 1.0
O A:HOH1317 2.1 52.3 1.0
O10 A:210822 2.5 41.9 0.9
O14 A:210822 3.2 77.9 0.9
P1 A:210822 3.3 47.4 0.9
C7 A:210822 3.5 73.7 0.9
OD1 A:ASP713 3.6 54.5 1.0
P8 A:210822 3.6 48.0 0.9
O3 A:210822 3.9 43.5 0.9
OG1 A:THR717 4.1 52.8 1.0
OD2 A:ASP713 4.2 44.6 1.0
O A:HOH1321 4.2 34.4 1.0
CG A:ASP713 4.3 46.1 1.0
O12 A:210822 4.4 44.5 0.9
O5 A:210822 4.4 43.9 0.9
NH2 A:ARG710 4.5 43.7 1.0
CB A:THR717 4.7 46.9 1.0
O9 A:210822 4.8 36.2 0.9

Magnesium binding site 3 out of 3 in 3sdr

Go back to Magnesium Binding Sites List in 3sdr
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:33.1
occ:0.90
 O9 A:210822 2.0 36.2 0.9
OD1 A:ASP566 2.1 38.2 1.0
O A:HOH1324 2.1 39.2 1.0
O A:HOH1323 2.1 36.9 1.0
O A:HOH1322 2.1 39.2 1.0
OD2 A:ASP570 2.1 41.9 1.0
CG A:ASP566 3.0 42.3 1.0
MG A:MG819 3.0 39.1 0.9
CG A:ASP570 3.1 45.6 1.0
P8 A:210822 3.3 48.0 0.9
OD2 A:ASP566 3.3 44.4 1.0
O12 A:210822 3.5 44.5 0.9
CB A:ASP570 3.6 49.5 1.0
O A:HOH1326 3.9 60.6 1.0
OE2 A:GLU644 3.9 60.6 1.0
O A:HOH1321 4.0 34.4 1.0
O10 A:210822 4.2 41.9 0.9
OD1 A:ASP570 4.3 46.9 1.0
CE1 A:TYR641 4.3 39.4 1.0
O A:HOH930 4.3 31.8 1.0
O A:ASP566 4.3 40.1 1.0
CB A:ASP566 4.3 38.7 1.0
C16 A:210822 4.5 67.8 0.9
C7 A:210822 4.6 73.7 0.9
CD A:GLU644 4.6 59.5 1.0
OE1 A:GLU644 4.6 65.0 1.0
CA A:ASP566 4.7 38.8 1.0
O A:HOH1320 4.7 36.6 1.0
C A:ASP566 4.7 39.4 1.0
O5 A:210822 4.8 43.9 0.9
CZ A:TYR641 4.8 38.0 1.0
CD1 A:TYR641 4.8 40.9 1.0
OH A:TYR641 4.9 38.4 1.0
CA A:ASP570 5.0 53.0 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: Mon Dec 14 08:50:23 2020

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