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Fluorine 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:

Magnesium (Mg) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of 5-Epi-Aristolochene Synthase M4 Mutant Complexed with (2-Cis,6-Trans)-2-Fluorofarnesyl Diphosphate, PDB code: 3m00:

Fluorine binding site 1 out of 1 in 3m00

Go back to Fluorine Binding Sites List in 3m00
Fluorine binding site 1 out of 1 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 Fluorine with other atoms in the F 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:F549

b:69.3
occ:1.00
 F A:2CF549 0.0 69.3 1.0
C1 A:2CF549 1.3 69.2 1.0
C2 A:2CF549 2.3 70.4 1.0
C15 A:2CF549 2.4 66.7 1.0
O1A A:2CF549 2.7 64.7 1.0
C4 A:2CF549 2.8 70.8 1.0
NH2 A:ARG264 3.1 64.0 1.0
CA A:SER298 3.7 40.1 1.0
C3 A:2CF549 3.8 72.7 1.0
PA A:2CF549 3.9 60.0 1.0
OD2 A:ASP301 3.9 42.8 1.0
CB A:SER298 3.9 40.2 1.0
NH1 A:ARG264 4.0 65.0 1.0
CB A:ASP301 4.0 41.1 1.0
CZ A:ARG264 4.0 64.0 1.0
CG A:ASP301 4.0 42.5 1.0
O3A A:2CF549 4.0 63.0 1.0
O A:HOH553 4.3 36.3 1.0
N A:SER298 4.4 39.1 1.0
O2A A:2CF549 4.5 63.0 1.0
O A:ILE297 4.5 39.4 1.0
C5 A:2CF549 4.6 74.6 1.0
OD1 A:ASP301 4.7 42.7 1.0
C A:ILE297 4.8 39.0 1.0
C A:SER298 4.8 40.2 1.0
CG2 A:THR403 4.8 32.0 1.0
O A:SER298 4.8 38.4 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: Mon Jul 14 17:51:32 2025

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