Atomistry » Magnesium » PDB 3lpl-3m1i » 3lz9
Atomistry »
  Magnesium »
    PDB 3lpl-3m1i »
      3lz9 »

Magnesium in PDB 3lz9: The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate

Enzymatic activity of The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate

All present enzymatic activity of The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate:
4.2.3.9;

Protein crystallography data

The structure of The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate, PDB code: 3lz9 was solved by J.P.Noel, N.Dellas, J.A.Faraldos, M.Zhao, B.A.Hess Jr., L.Smentek, R.M.Coates, P.E.O'maille, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.28
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 126.330, 126.330, 121.910, 90.00, 90.00, 90.00
R / Rfree (%) 24.3 / 24.6

Other elements in 3lz9:

The structure of The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate also contains other interesting chemical elements:

Fluorine (F) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate (pdb code 3lz9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate, PDB code: 3lz9:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 3lz9

Go back to Magnesium Binding Sites List in 3lz9
Magnesium binding site 1 out of 3 in the The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg852

b:71.4
occ:1.00
 OD1 A:ASP301 2.0 52.3 1.0
O2B A:FPF700 2.2 94.0 1.0
OD1 A:ASP305 2.2 75.4 1.0
OD2 A:ASP305 2.3 74.2 1.0
CG A:ASP305 2.5 72.7 1.0
O A:HOH552 2.6 98.7 1.0
CG A:ASP301 3.1 52.0 1.0
OE2 A:GLU379 3.6 64.6 1.0
OE1 A:GLU379 3.6 63.0 1.0
O A:HOH551 3.7 44.8 1.0
P2 A:FPF700 3.7 94.2 1.0
OD2 A:ASP301 3.7 52.4 1.0
CE1 A:TYR376 3.8 46.8 1.0
CB A:ASP305 3.9 68.0 1.0
O A:HOH556 3.9 50.0 1.0
CD A:GLU379 4.0 61.6 1.0
CD1 A:TYR376 4.1 44.3 1.0
MG A:MG853 4.2 62.1 1.0
O A:ASP301 4.2 53.9 1.0
CB A:ASP301 4.3 51.4 1.0
O3A A:FPF700 4.3 96.8 1.0
O1B A:FPF700 4.5 93.8 1.0
CA A:ASP301 4.5 51.3 1.0
CZ A:TYR376 4.6 48.0 1.0
CA A:ASP305 4.6 64.7 1.0
O3B A:FPF700 4.7 94.9 1.0
N A:ASP305 4.7 62.1 1.0
C A:ASP301 4.8 53.7 1.0
OH A:TYR376 4.9 48.7 1.0

Magnesium binding site 2 out of 3 in 3lz9

Go back to Magnesium Binding Sites List in 3lz9
Magnesium binding site 2 out of 3 in the The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg853

b:62.1
occ:1.00
 OD1 A:ASP305 2.1 75.4 1.0
OD2 A:ASP301 2.3 52.4 1.0
O A:HOH553 2.3 79.6 1.0
O3A A:FPF700 2.7 96.8 1.0
CG A:ASP305 3.0 72.7 1.0
CB A:ASP305 3.1 68.0 1.0
CG A:ASP301 3.3 52.0 1.0
O1A A:FPF700 3.4 99.5 1.0
P1 A:FPF700 3.6 99.4 1.0
OD1 A:ASP301 3.6 52.3 1.0
O2B A:FPF700 3.6 94.0 1.0
P2 A:FPF700 3.8 94.2 1.0
MG A:MG852 4.2 71.4 1.0
OD2 A:ASP305 4.2 74.2 1.0
C1 A:FPF700 4.2 0.2 1.0
O1B A:FPF700 4.3 93.8 1.0
OD1 A:ASP302 4.3 67.1 1.0
O A:ASP301 4.4 53.9 1.0
O1 A:FPF700 4.4 100.0 1.0
CB A:ASP301 4.6 51.4 1.0
CA A:ASP305 4.6 64.7 1.0
C A:ASP301 4.7 53.7 1.0
O A:HOH551 4.8 44.8 1.0
O2A A:FPF700 4.9 99.4 1.0
N A:ASP302 5.0 56.0 1.0

Magnesium binding site 3 out of 3 in 3lz9

Go back to Magnesium Binding Sites List in 3lz9
Magnesium binding site 3 out of 3 in the The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Trans,6-Trans)-2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg854

b:81.6
occ:1.00
 O A:HOH549 2.0 74.8 1.0
OE2 A:GLU452 2.1 86.1 1.0
O A:HOH554 2.4 42.0 1.0
O A:HOH550 2.4 59.0 1.0
OD1 A:ASP444 2.6 55.9 1.0
OG1 A:THR448 2.8 62.1 1.0
CD A:GLU452 3.2 85.9 1.0
O1B A:FPF700 3.2 93.8 1.0
OD2 A:ASP444 3.3 56.1 1.0
CG A:ASP444 3.3 53.8 1.0
OE1 A:GLU452 3.7 87.0 1.0
CB A:THR448 3.8 61.0 1.0
NH2 A:ARG441 4.0 41.3 1.0
CG2 A:THR448 4.1 60.3 1.0
O A:ASP444 4.3 46.6 1.0
O3B A:FPF700 4.4 94.9 1.0
P2 A:FPF700 4.4 94.2 1.0
CG A:GLU452 4.4 84.2 1.0
O2A A:FPF700 4.6 99.4 1.0
OD1 A:ASP445 4.6 47.8 1.0
CB A:ASP444 4.8 49.9 1.0
C A:ASP444 4.8 46.3 1.0
O A:HOH572 5.0 50.4 1.0

Reference:

J.P.Noel, N.Dellas, J.A.Faraldos, M.Zhao, B.A.Hess, L.Smentek, R.M.Coates, P.E.O'maille. Structural Elucidation of Cisoid and Transoid Cyclization Pathways of A Sesquiterpene Synthase Using 2-Fluorofarnesyl Diphosphates. Acs Chem.Biol. V. 5 377 2010.
ISSN: ISSN 1554-8929
PubMed: 20175559
DOI: 10.1021/CB900295G
Page generated: Wed Aug 14 18:41:56 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy