Fluorine in PDB 3v1x: Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl Diphosphate

The structure of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl Diphosphate, PDB code: 3v1x was solved by M.Koksal, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.38 / 1.96
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.635, 99.635, 104.811, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.9

The structure of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl Diphosphate also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl Diphosphate (pdb code 3v1x). 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 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl Diphosphate, PDB code: 3v1x:

Fluorine binding site 1 out of 1 in the Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 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 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluorogeranyl Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:F503 b:45.4 occ:1.00 F2 A:0FV503 0.0 45.4 1.0 C2 A:0FV503 1.4 31.2 1.0 C3 A:0FV503 2.3 35.2 1.0 C1 A:0FV503 2.4 33.7 1.0 C5 A:0FV503 2.8 34.0 1.0 O1A A:0FV503 3.2 35.3 1.0 O1 A:0FV503 3.2 33.2 1.0 O A:HOH839 3.4 40.1 0.5 O3A A:0FV503 3.4 37.7 1.0 PA A:0FV503 3.4 28.7 1.0 O A:HOH838 3.5 43.2 1.0 C7 A:0FV503 3.6 38.4 1.0 C4 A:0FV503 3.7 29.8 1.0 C6 A:0FV503 3.7 32.1 1.0 O A:HOH801 3.9 33.8 1.0 O A:HOH802 4.0 46.1 1.0 MG A:MG502 4.4 42.3 0.5 OE1 A:GLU193 4.6 40.3 0.5 CE1 A:PHE305 4.7 22.6 1.0 C8 A:0FV503 4.8 40.0 1.0 PB A:0FV503 4.9 34.4 1.0 O2A A:0FV503 5.0 29.1 1.0 CZ A:PHE305 5.0 21.8 1.0

M.Koksal, W.K.Chou, D.E.Cane, D.W.Christianson. Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor and Implications For the Cyclization of A Noncanonical C-Methylated Monoterpenoid Substrate. Biochemistry V. 51 3011 2012.
ISSN: ISSN 0006-2960
PubMed: 22455514
DOI: 10.1021/BI201827A