Atomistry » Magnesium » PDB 3lpl-3m1i » 3m00
Atomistry »
  Magnesium »
    PDB 3lpl-3m1i »
      3m00 »

Magnesium in PDB 3m00: Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Cis,6-Trans)-2-Fluorofarnesyl Diphosphate

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

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

Protein crystallography data

The structure of Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Cis,6-Trans)-2-Fluorofarnesyl Diphosphate, PDB code: 3m00 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) 43.91 / 2.10
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 126.100, 126.100, 122.380, 90.00, 90.00, 90.00
R / Rfree (%) 22.1 / 25.9

Other elements in 3m00:

The structure of Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Cis,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 Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Cis,6-Trans)-2-Fluorofarnesyl Diphosphate (pdb code 3m00). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Cis,6-Trans)-2-Fluorofarnesyl Diphosphate, PDB code: 3m00:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 3m00

Go back to Magnesium Binding Sites List in 3m00
Magnesium binding site 1 out of 3 in the Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Cis,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 Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Cis,6-Trans)-2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg550

b:57.4
occ:1.00
 O A:HOH554 2.1 32.2 1.0
OG1 A:THR448 2.2 47.5 1.0
O A:HOH555 2.2 31.8 1.0
OE2 A:GLU452 2.2 64.6 1.0
O A:HOH556 2.2 47.3 1.0
OD1 A:ASP444 2.4 43.1 1.0
CD A:GLU452 2.8 64.1 1.0
OE1 A:GLU452 3.0 63.3 1.0
CB A:THR448 3.1 49.7 1.0
CG A:ASP444 3.3 42.3 1.0
OB3 A:2CF549 3.3 61.1 1.0
OD2 A:ASP444 3.5 42.8 1.0
CG2 A:THR448 3.6 50.0 1.0
O A:HOH836 3.7 64.0 1.0
CG A:GLU452 4.0 65.4 1.0
O A:ASP444 4.0 42.4 1.0
NH2 A:ARG441 4.2 33.3 1.0
OD1 A:ASP445 4.4 40.0 1.0
C A:ASP444 4.4 41.7 1.0
CA A:THR448 4.5 49.5 1.0
O A:THR448 4.7 53.0 1.0
CB A:ASP444 4.7 41.0 1.0
PB A:2CF549 4.7 57.3 1.0
C A:THR448 4.8 51.4 1.0
N A:ASP445 4.9 38.9 1.0
CA A:ASP445 4.9 40.6 1.0
OB1 A:2CF549 4.9 61.3 1.0
O A:HOH663 5.0 43.0 1.0

Magnesium binding site 2 out of 3 in 3m00

Go back to Magnesium Binding Sites List in 3m00
Magnesium binding site 2 out of 3 in the Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Cis,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 Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Cis,6-Trans)-2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg551

b:43.9
occ:1.00
 O A:HOH566 1.7 54.4 1.0
O A:HOH562 2.0 54.9 1.0
OD2 A:ASP301 2.1 42.8 1.0
O A:HOH563 2.1 38.1 1.0
O3A A:2CF549 2.5 63.0 1.0
OD2 A:ASP305 2.7 63.3 1.0
CG A:ASP305 2.9 60.1 1.0
OB4 A:2CF549 3.1 62.4 1.0
CG A:ASP301 3.1 42.5 1.0
PA A:2CF549 3.1 60.0 1.0
OD1 A:ASP305 3.1 62.9 1.0
OB1 A:2CF549 3.4 61.3 1.0
OD1 A:ASP301 3.4 42.7 1.0
MG A:MG552 3.6 44.5 1.0
PB A:2CF549 3.7 57.3 1.0
O1A A:2CF549 3.7 64.7 1.0
OB2 A:2CF549 3.8 60.8 1.0
CB A:ASP305 3.8 57.4 1.0
OD1 A:ASP302 4.3 54.9 1.0
NH2 A:ARG264 4.4 64.0 1.0
CB A:ASP301 4.4 41.1 1.0
O A:HOH565 4.5 45.0 1.0
CZ A:ARG264 4.6 64.0 1.0
O A:HOH836 4.6 64.0 1.0
O2A A:2CF549 4.6 63.0 1.0
NH1 A:ARG264 4.7 65.0 1.0
O A:ASP301 4.7 41.4 1.0
C A:ASP301 4.8 42.6 1.0
N A:ASP302 4.9 44.7 1.0

Magnesium binding site 3 out of 3 in 3m00

Go back to Magnesium Binding Sites List in 3m00
Magnesium binding site 3 out of 3 in the Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Cis,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 Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Cis,6-Trans)-2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg552

b:44.5
occ:1.00
 O A:HOH566 2.0 54.4 1.0
OD1 A:ASP301 2.1 42.7 1.0
O A:HOH564 2.1 35.7 1.0
O A:HOH565 2.1 45.0 1.0
OD1 A:ASP305 2.3 62.9 1.0
OB2 A:2CF549 2.7 60.8 1.0
OB1 A:2CF549 3.0 61.3 1.0
CG A:ASP305 3.1 60.1 1.0
CG A:ASP301 3.1 42.5 1.0
OD2 A:ASP305 3.1 63.3 1.0
PB A:2CF549 3.5 57.3 1.0
OD2 A:ASP301 3.5 42.8 1.0
MG A:MG551 3.6 43.9 1.0
OE1 A:GLU379 3.7 54.6 1.0
O A:HOH553 4.0 36.3 1.0
CE1 A:TYR376 4.1 38.1 1.0
OE2 A:GLU379 4.4 52.0 1.0
CB A:ASP301 4.4 41.1 1.0
OB4 A:2CF549 4.4 62.4 1.0
O A:ASP301 4.4 41.4 1.0
CD A:GLU379 4.4 51.5 1.0
O A:HOH563 4.5 38.1 1.0
CD1 A:TYR376 4.5 38.5 1.0
CB A:ASP305 4.5 57.4 1.0
O1A A:2CF549 4.8 64.7 1.0
OB3 A:2CF549 4.8 61.1 1.0
CA A:ASP301 4.8 42.4 1.0
C A:ASP301 4.9 42.6 1.0
CZ A:TYR376 5.0 37.9 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: Mon Aug 11 00:15:12 2025

Last articles

Mg in 5WQA
Mg in 5WQ0
Mg in 5WPM
Mg in 5WPL
Mg in 5WNS
Mg in 5WNQ
Mg in 5WNR
Mg in 5WNP
Mg in 5WMB
Mg in 5WM8
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy