Fluorine in PDB 2onh: Crystal Structure of of Limonene Synthase with 2- Fluorolinalyl Diphosphate(Flpp)

The structure of Crystal Structure of of Limonene Synthase with 2- Fluorolinalyl Diphosphate(Flpp), PDB code: 2onh 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 (°)	198.660, 198.660, 122.670, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.4

The structure of Crystal Structure of of Limonene Synthase with 2- Fluorolinalyl Diphosphate(Flpp) 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- Fluorolinalyl Diphosphate(Flpp) (pdb code 2onh). 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- Fluorolinalyl Diphosphate(Flpp), PDB code: 2onh:
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- Fluorolinalyl Diphosphate(Flpp)


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- Fluorolinalyl Diphosphate(Flpp) within 5.0Å range: probe atom residue distance (Å) B Occ A:F600 b:61.0 occ:1.00 F A:F3P600 0.0 61.0 1.0 C2 A:F3P600 1.4 56.4 1.0 C1 A:F3P600 2.5 60.2 1.0 C3 A:F3P600 2.6 55.3 1.0 OH A:TYR573 2.8 55.5 1.0 C10 A:F3P600 2.8 55.6 1.0 C9 A:F3P600 3.1 48.9 1.0 O1 A:F3P600 3.2 61.6 1.0 CD2 A:HIS579 3.2 0.0 1.0 CG A:HIS579 3.4 0.0 1.0 CB A:HIS579 3.6 0.0 1.0 C7 A:F3P600 3.7 45.5 1.0 C4 A:F3P600 3.8 49.5 1.0 OD2 A:ASP577 3.9 0.0 1.0 CZ A:TYR573 4.0 48.6 1.0 NE2 A:HIS579 4.0 0.0 1.0 C6 A:F3P600 4.2 46.3 1.0 ND1 A:HIS579 4.2 0.0 1.0 C5 A:F3P600 4.3 46.3 1.0 CZ2 A:TRP324 4.3 31.6 1.0 NE1 A:TRP324 4.5 32.5 1.0 NH1 A:ARG315 4.5 59.1 1.0 CE1 A:HIS579 4.5 0.0 1.0 C8 A:F3P600 4.5 46.2 1.0 CE1 A:TYR573 4.6 45.9 1.0 O A:ASP577 4.7 0.0 1.0 PA A:F3P600 4.7 67.5 1.0 CE2 A:TRP324 4.8 31.0 1.0 O1A A:F3P600 4.9 62.5 1.0 CG A:ASP577 4.9 0.0 1.0 CE2 A:TYR573 4.9 47.0 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of of Limonene Synthase with 2- Fluorolinalyl Diphosphate(Flpp)


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- Fluorolinalyl Diphosphate(Flpp) within 5.0Å range: probe atom residue distance (Å) B Occ B:F1600 b:58.1 occ:1.00 F B:F3P1600 0.0 58.1 1.0 C2 B:F3P1600 1.4 58.4 1.0 C1 B:F3P1600 2.5 55.7 1.0 C3 B:F3P1600 2.6 58.7 1.0 C10 B:F3P1600 2.9 66.7 1.0 OH B:TYR573 3.2 46.4 1.0 O1 B:F3P1600 3.4 62.4 1.0 C6 B:F3P1600 3.7 46.8 1.0 O1A B:F3P1600 3.7 53.4 1.0 C4 B:F3P1600 3.8 52.9 1.0 C5 B:F3P1600 4.0 47.5 1.0 CG1 B:ILE453 4.0 32.4 1.0 CZ B:TYR573 4.1 38.4 1.0 CD1 B:ILE453 4.1 33.9 1.0 CE2 B:TYR573 4.1 33.1 1.0 OD1 B:ASP496 4.2 50.4 1.0 PA B:F3P1600 4.2 62.6 1.0 C7 B:F3P1600 4.2 45.9 1.0 CD1 B:LEU492 4.3 31.8 1.0 CG B:ASP496 4.5 45.8 1.0 O B:ILE453 4.6 41.5 1.0 C8 B:F3P1600 4.6 47.5 1.0 O3A B:F3P1600 4.7 59.8 1.0 CB B:ASP496 4.7 45.4 1.0 CZ2 B:TRP324 4.8 39.8 1.0 CG B:LEU492 4.8 33.3 1.0 CH2 B:TRP324 4.9 40.9 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