Fluorine in PDB 2ong: Crystal Structure of of Limonene Synthase with 2- Fluorogeranyl Diphosphate (Fgpp).

The structure of Crystal Structure of of Limonene Synthase with 2- Fluorogeranyl Diphosphate (Fgpp)., PDB code: 2ong was solved by D.C.Hyatt, B.Youn, R.Croteau, C.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.70
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	200.480, 200.480, 123.410, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 24.1

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

Manganese

(Mn)

6 atoms

The binding sites of Fluorine atom in the Crystal Structure of of Limonene Synthase with 2- Fluorogeranyl Diphosphate (Fgpp). (pdb code 2ong). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of of Limonene Synthase with 2- Fluorogeranyl Diphosphate (Fgpp)., PDB code: 2ong:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of of Limonene Synthase with 2- Fluorogeranyl Diphosphate (Fgpp).


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 of Limonene Synthase with 2- Fluorogeranyl Diphosphate (Fgpp). within 5.0Å range: probe atom residue distance (Å) B Occ A:F600 b:82.7 occ:1.00 F A:FPG600 0.0 82.7 1.0 C2 A:FPG600 1.3 74.0 1.0 C3 A:FPG600 2.4 72.8 1.0 C1 A:FPG600 2.4 76.5 1.0 O1 A:FPG600 2.9 74.9 1.0 O3A A:FPG600 2.9 68.2 1.0 C5 A:FPG600 3.0 59.0 1.0 C4 A:FPG600 3.0 66.0 1.0 O A:ILE453 3.4 33.1 1.0 PA A:FPG600 3.4 72.3 1.0 C6 A:FPG600 3.7 60.6 1.0 C10 A:FPG600 3.7 75.2 1.0 OH A:TYR427 3.9 28.6 1.0 O2A A:FPG600 4.0 72.8 1.0 C A:ILE453 4.1 33.8 1.0 CD1 A:ILE453 4.2 22.3 1.0 CG2 A:ILE348 4.3 27.0 1.0 PB A:FPG600 4.3 64.1 1.0 CA A:ILE453 4.3 30.5 1.0 O3B A:FPG600 4.5 70.1 1.0 OG A:SER454 4.7 34.5 1.0 CG1 A:ILE453 4.8 31.8 1.0 O1A A:FPG600 4.8 66.6 1.0 NH2 A:ARG315 4.9 52.0 1.0 O A:SER452 4.9 45.2 1.0 OD1 A:ASP496 4.9 55.9 1.0 OD2 A:ASP352 4.9 21.4 1.0 CG A:ASP352 4.9 32.4 1.0 O2B A:FPG600 4.9 54.6 1.0 CZ A:TYR427 4.9 31.4 1.0 CB A:SER454 5.0 28.0 1.0 CB A:ASP352 5.0 25.2 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of of Limonene Synthase with 2- Fluorogeranyl Diphosphate (Fgpp).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of of Limonene Synthase with 2- Fluorogeranyl Diphosphate (Fgpp). within 5.0Å range: probe atom residue distance (Å) B Occ B:F1600 b:0.0 occ:1.00 F B:FPG1600 0.0 0.0 1.0 C2 B:FPG1600 1.3 92.3 1.0 C3 B:FPG1600 2.4 81.1 1.0 C1 B:FPG1600 2.4 0.0 1.0 C4 B:FPG1600 2.9 67.4 1.0 NH2 B:ARG315 3.1 71.0 1.0 O1 B:FPG1600 3.2 82.4 1.0 OD1 B:ASP352 3.3 43.7 1.0 C6 B:FPG1600 3.4 44.8 1.0 C5 B:FPG1600 3.4 47.0 1.0 CB B:ASP352 3.5 30.6 1.0 CG B:ASP352 3.5 40.8 1.0 O2A B:FPG1600 3.6 88.1 1.0 CA B:THR349 3.7 25.6 1.0 C10 B:FPG1600 3.7 81.5 1.0 PA B:FPG1600 3.8 83.0 1.0 NH1 B:ARG315 3.9 74.0 1.0 CZ B:ARG315 3.9 69.0 1.0 CG2 B:ILE348 4.1 49.6 1.0 O B:ILE348 4.1 32.6 1.0 OG1 B:THR349 4.2 39.6 1.0 O B:THR349 4.2 21.7 1.0 O3A B:FPG1600 4.2 73.0 1.0 N B:THR349 4.3 26.7 1.0 C B:ILE348 4.4 31.8 1.0 OD2 B:ASP352 4.4 44.5 1.0 C B:THR349 4.4 27.4 1.0 OH B:TYR427 4.5 41.3 1.0 CB B:THR349 4.5 26.0 1.0 MN B:MN1602 4.8 49.8 1.0 C7 B:FPG1600 4.9 47.8 1.0 CA B:ASP352 5.0 34.9 1.0

D.C.Hyatt, B.Youn, Y.Zhao, B.Santhamma, R.M.Coates, R.B.Croteau, C.Kang. Structure of Limonene Synthase, A Simple Model For Terpenoid Cyclase Catalysis. Proc.Natl.Acad.Sci.Usa V. 104 5360 2007.
ISSN: ISSN 0027-8424
PubMed: 17372193
DOI: 10.1073/PNAS.0700915104