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Fluorine in PDB 4la6: Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate

Enzymatic activity of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate

All present enzymatic activity of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate:
4.2.3.118;

Protein crystallography data

The structure of Crystal Structure of 2-Methylisoborneol Synthase From Streptomyces Coelicolor A3(2) in Complex with MG2+ and 2-Fluoroneryl Diphosphate, PDB code: 4la6 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) 46.46 / 2.00
Space group P 43 2 2
Cell size a, b, c (Å), α, β, γ (°) 99.462, 99.462, 105.079, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 20.1

Other elements in 4la6:

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

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

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-Fluoroneryl Diphosphate (pdb code 4la6). 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-Fluoroneryl Diphosphate, PDB code: 4la6:

Fluorine binding site 1 out of 1 in 4la6

Go back to Fluorine Binding Sites List in 4la6
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-Fluoroneryl 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-Fluoroneryl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F503

b:34.6
occ:1.00
 F2 A:LA6503 0.0 34.6 1.0
C2 A:LA6503 1.4 30.7 1.0
C3 A:LA6503 2.3 34.1 1.0
C1 A:LA6503 2.4 27.4 1.0
C4 A:LA6503 2.7 30.6 1.0
O1 A:LA6503 2.7 40.3 1.0
NH2 A:ARG300 3.3 23.5 1.0
CZ A:PHE305 3.4 19.9 1.0
CE2 A:PHE305 3.4 25.6 1.0
NH1 A:ARG300 3.5 23.5 1.0
C5 A:LA6503 3.7 38.3 1.0
CE1 A:PHE305 3.7 26.0 1.0
CZ A:ARG300 3.7 29.4 1.0
CD2 A:PHE305 3.8 22.3 1.0
CG2 A:THR342 3.9 17.4 1.0
CD1 A:PHE305 4.1 23.5 1.0
CG A:PHE305 4.2 21.9 1.0
PA A:LA6503 4.2 31.3 1.0
CG A:ASN345 4.4 30.0 1.0
C6 A:LA6503 4.5 47.0 1.0
CB A:ASN345 4.5 21.3 1.0
OD1 A:ASN345 4.5 25.5 1.0
O1A A:LA6503 4.5 35.9 1.0
N A:PHE305 4.6 21.8 1.0
O A:HOH604 4.6 35.6 1.0
C A:ASN304 4.8 26.2 1.0
O A:ASN303 4.8 21.6 1.0
CA A:ASN304 4.8 21.0 1.0
ND2 A:ASN345 4.9 27.1 1.0
CB A:THR342 4.9 23.1 1.0
C7 A:LA6503 4.9 48.5 1.0
OG1 A:THR342 4.9 21.1 1.0
NE A:ARG300 4.9 19.1 1.0

Reference:

M.Koksal, W.K.Chou, D.E.Cane, D.W.Christianson. Unexpected Reactivity of 2-Fluorolinalyl Diphosphate in the Active Site of Crystalline 2-Methylisoborneol Synthase. Biochemistry V. 52 5247 2013.
ISSN: ISSN 0006-2960
PubMed: 23844678
DOI: 10.1021/BI400797C
Page generated: Thu Aug 1 03:24:41 2024

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