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Fluorine in PDB 5nx5: Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate

Enzymatic activity of Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate

All present enzymatic activity of Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate:
4.2.3.7;

Protein crystallography data

The structure of Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate, PDB code: 5nx5 was solved by V.Karuppiah, D.Leys, N.S.Scrutton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.84 / 1.82
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 139.370, 139.370, 86.060, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 18.9

Other elements in 5nx5:

The structure of Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate (pdb code 5nx5). 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 Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate, PDB code: 5nx5:

Fluorine binding site 1 out of 1 in 5nx5

Go back to Fluorine Binding Sites List in 5nx5
Fluorine binding site 1 out of 1 in the Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex 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 Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:80.7
occ:1.00
 F2 A:0FV402 0.0 80.7 1.0
C2 A:0FV402 1.3 90.1 1.0
C3 A:0FV402 2.3 74.1 1.0
C1 A:0FV402 2.4 0.3 1.0
O1 A:0FV402 2.7 0.6 1.0
C5 A:0FV402 2.8 68.9 1.0
ND2 A:ASN218 3.1 39.0 1.0
C6 A:0FV402 3.6 62.6 1.0
C4 A:0FV402 3.7 62.9 1.0
CG A:ASN218 4.0 37.4 1.0
OD1 A:ASN218 4.0 40.1 1.0
OG A:SER222 4.0 54.3 1.0
O A:HOH733 4.1 72.5 1.0
PA A:0FV402 4.2 0.4 1.0
NH2 A:ARG172 4.2 46.1 1.0
CE2 A:PHE76 4.5 38.3 1.0
O3A A:0FV402 4.6 0.1 1.0
C7 A:0FV402 4.8 58.3 1.0
O A:HOH582 4.9 48.1 1.0
O2A A:0FV402 4.9 0.4 1.0

Reference:

V.Karuppiah, K.E.Ranaghan, N.G.H.Leferink, L.O.Johannissen, M.Shanmugam, A.Ni Cheallaigh, N.J.Bennett, L.J.Kearsey, E.Takano, J.M.Gardiner, M.W.Van Der Kamp, S.Hay, A.J.Mulholland, D.Leys, N.S.Scrutton. Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase. Acs Catal V. 7 6268 2017.
ISSN: ESSN 2155-5435
PubMed: 28966840
DOI: 10.1021/ACSCATAL.7B01924
Page generated: Thu Aug 1 12:07:24 2024

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