Fluorine in PDB 9c7l: Crystal Structure of Pentalenene Synthase Variant F76A Complexed with 2-Fluorofarnesyl Diphosphate

Enzymatic activity of Crystal Structure of Pentalenene Synthase Variant F76A Complexed with 2-Fluorofarnesyl Diphosphate

All present enzymatic activity of Crystal Structure of Pentalenene Synthase Variant F76A Complexed with 2-Fluorofarnesyl Diphosphate:
4.2.3.7;

Protein crystallography data

The structure of Crystal Structure of Pentalenene Synthase Variant F76A Complexed with 2-Fluorofarnesyl Diphosphate, PDB code: 9c7l was solved by R.Prem Kumar, W.H.Ellenburg, D.D.Oprian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.84 / 2.20
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 181.521, 181.521, 55.763, 90, 90, 120
R / Rfree (%) 18.5 / 21.3

Other elements in 9c7l:

The structure of Crystal Structure of Pentalenene Synthase Variant F76A Complexed with 2-Fluorofarnesyl Diphosphate also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Pentalenene Synthase Variant F76A Complexed with 2-Fluorofarnesyl Diphosphate (pdb code 9c7l). 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 Pentalenene Synthase Variant F76A Complexed with 2-Fluorofarnesyl Diphosphate, PDB code: 9c7l:

Fluorine binding site 1 out of 1 in 9c7l

Go back to Fluorine Binding Sites List in 9c7l
Fluorine binding site 1 out of 1 in the Crystal Structure of Pentalenene Synthase Variant F76A Complexed with 2-Fluorofarnesyl 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 Pentalenene Synthase Variant F76A Complexed with 2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:79.5
occ:1.00
 F A:FPF401 0.0 79.5 1.0
C2 A:FPF401 1.4 75.7 1.0
C3 A:FPF401 2.3 68.9 1.0
C1 A:FPF401 2.5 72.0 1.0
OD2 A:ASP80 2.7 51.9 1.0
C5 A:FPF401 2.7 66.1 1.0
CG A:ASP80 2.8 46.9 1.0
O2A A:FPF401 3.1 62.8 1.0
O1 A:FPF401 3.1 73.8 1.0
OD1 A:ASP80 3.2 51.8 1.0
CB A:ASP80 3.5 38.2 1.0
O A:HOH625 3.6 64.6 1.0
P1 A:FPF401 3.7 63.5 1.0
C4 A:FPF401 3.7 67.8 1.0
O2B A:FPF401 3.8 70.4 1.0
O3B A:FPF401 4.1 63.7 1.0
MG A:MG402 4.1 70.7 1.0
C6 A:FPF401 4.2 66.8 1.0
P2 A:FPF401 4.3 67.5 1.0
CE1 A:PHE77 4.4 48.4 1.0
O3A A:FPF401 4.4 69.5 1.0
MG A:MG404 4.5 75.9 1.0
CD1 A:PHE77 4.5 43.5 1.0
OH A:TYR150 4.5 47.0 1.0
C7 A:FPF401 4.8 65.8 1.0
NH1 A:ARG314 4.9 65.4 1.0
O1A A:FPF401 5.0 68.4 1.0

Reference:

R.P.Kumar, J.O.Matos, B.Y.Black, W.H.Ellenburg, J.Chen, M.Patterson, J.A.Gehtman, D.L.Theobald, I.J.Krauss, D.D.Oprian. Crystal Structure of Caryolan-1-Ol Synthase, A Sesquiterpene Synthase Catalyzing An Initial Anti-Markovnikov Cyclization Reaction. Biochemistry 2024.
ISSN: ISSN 0006-2960
PubMed: 39400323
DOI: 10.1021/ACS.BIOCHEM.4C00547
Page generated: Wed Nov 13 08:50:31 2024

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