Fluorine in PDB 5uv1: Crystal Structure of (+)-Limonene Synthase Complexed with 2- Fluorogeranyl Diphosphate

The structure of Crystal Structure of (+)-Limonene Synthase Complexed with 2- Fluorogeranyl Diphosphate, PDB code: 5uv1 was solved by R.Prem Kumar, K.Malik, D.D.Oprian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.40
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.510, 85.510, 215.420, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 23.6

The structure of Crystal Structure of (+)-Limonene Synthase Complexed with 2- Fluorogeranyl Diphosphate also contains other interesting chemical elements:

Manganese

(Mn)

3 atoms

The binding sites of Fluorine atom in the Crystal Structure of (+)-Limonene Synthase Complexed with 2- Fluorogeranyl Diphosphate (pdb code 5uv1). 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 (+)-Limonene Synthase Complexed with 2- Fluorogeranyl Diphosphate, PDB code: 5uv1:

Fluorine binding site 1 out of 1 in the Crystal Structure of (+)-Limonene Synthase Complexed with 2- Fluorogeranyl 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 (+)-Limonene Synthase Complexed with 2- Fluorogeranyl Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:F704 b:0.2 occ:1.00 F2 A:0FV704 0.0 0.2 1.0 C2 A:0FV704 1.3 84.2 1.0 C3 A:0FV704 2.3 91.4 1.0 C1 A:0FV704 2.4 79.8 1.0 C5 A:0FV704 2.8 89.4 1.0 C6 A:0FV704 3.0 70.2 1.0 O1 A:0FV704 3.0 86.1 1.0 OG1 A:THR340 3.1 61.0 1.0 C4 A:0FV704 3.7 79.8 1.0 C10 A:0FV704 3.9 59.6 1.0 CB A:THR340 4.2 46.6 1.0 C7 A:0FV704 4.2 60.5 1.0 O A:HOH923 4.3 61.5 1.0 CA A:THR340 4.4 41.2 1.0 CG2 A:THR340 4.5 54.2 1.0 C8 A:0FV704 4.6 57.8 1.0 PA A:0FV704 4.6 61.1 1.0 N A:THR340 4.8 47.4 1.0

R.P.Kumar, B.R.Morehouse, J.O.Matos, K.Malik, H.Lin, I.J.Krauss, D.D.Oprian. Structural Characterization of Early Michaelis Complexes in the Reaction Catalyzed By (+)-Limonene Synthase From Citrus Sinensis Using Fluorinated Substrate Analogues. Biochemistry V. 56 1716 2017.
ISSN: ISSN 1520-4995
PubMed: 28272876
DOI: 10.1021/ACS.BIOCHEM.7B00144