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Fluorine in PDB 3p5r: Crystal Structure of Taxadiene Synthase From Pacific Yew (Taxus Brevifolia) in Complex with MG2+ and 2-Fluorogeranylgeranyl Diphosphate

Enzymatic activity of Crystal Structure of Taxadiene Synthase From Pacific Yew (Taxus Brevifolia) in Complex with MG2+ and 2-Fluorogeranylgeranyl Diphosphate

All present enzymatic activity of Crystal Structure of Taxadiene Synthase From Pacific Yew (Taxus Brevifolia) in Complex with MG2+ and 2-Fluorogeranylgeranyl Diphosphate:
4.2.3.17;

Protein crystallography data

The structure of Crystal Structure of Taxadiene Synthase From Pacific Yew (Taxus Brevifolia) in Complex with MG2+ and 2-Fluorogeranylgeranyl Diphosphate, PDB code: 3p5r 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) 43.41 / 2.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.050, 201.980, 81.431, 90.00, 91.60, 90.00
R / Rfree (%) 18.7 / 25

Other elements in 3p5r:

The structure of Crystal Structure of Taxadiene Synthase From Pacific Yew (Taxus Brevifolia) in Complex with MG2+ and 2-Fluorogeranylgeranyl Diphosphate also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Taxadiene Synthase From Pacific Yew (Taxus Brevifolia) in Complex with MG2+ and 2-Fluorogeranylgeranyl Diphosphate (pdb code 3p5r). 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 Taxadiene Synthase From Pacific Yew (Taxus Brevifolia) in Complex with MG2+ and 2-Fluorogeranylgeranyl Diphosphate, PDB code: 3p5r:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3p5r

Go back to Fluorine Binding Sites List in 3p5r
Fluorine binding site 1 out of 2 in the Crystal Structure of Taxadiene Synthase From Pacific Yew (Taxus Brevifolia) in Complex with MG2+ and 2-Fluorogeranylgeranyl 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 Taxadiene Synthase From Pacific Yew (Taxus Brevifolia) in Complex with MG2+ and 2-Fluorogeranylgeranyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F911

b:39.2
occ:1.00
F01 A:FGG911 0.0 39.2 1.0
C02 A:FGG911 1.3 32.7 1.0
C03 A:FGG911 2.3 30.0 1.0
C01 A:FGG911 2.4 30.0 1.0
C04 A:FGG911 2.7 29.2 1.0
O01 A:FGG911 2.8 21.0 1.0
C19 A:FGG911 3.3 38.6 1.0
O A:HOH1263 3.6 18.6 1.0
C16 A:FGG911 3.7 23.8 1.0
CG2 A:VAL610 4.0 13.9 1.0
P02 A:FGG911 4.1 16.8 1.0
C15 A:FGG911 4.1 45.7 1.0
C05 A:FGG911 4.2 28.6 1.0
C20 A:FGG911 4.3 38.8 1.0
O03 A:FGG911 4.3 17.7 1.0
O A:HOH1272 4.4 28.6 1.0
CG1 A:VAL610 4.4 12.4 1.0
O07 A:FGG911 4.5 16.8 1.0
CB A:VAL610 4.5 12.8 1.0
CA A:VAL610 4.6 10.5 1.0
NH2 A:ARG580 4.6 26.5 0.5
C17 A:FGG911 4.8 28.3 1.0
OD2 A:ASP613 4.9 12.0 1.0

Fluorine binding site 2 out of 2 in 3p5r

Go back to Fluorine Binding Sites List in 3p5r
Fluorine binding site 2 out of 2 in the Crystal Structure of Taxadiene Synthase From Pacific Yew (Taxus Brevifolia) in Complex with MG2+ and 2-Fluorogeranylgeranyl Diphosphate


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 Taxadiene Synthase From Pacific Yew (Taxus Brevifolia) in Complex with MG2+ and 2-Fluorogeranylgeranyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F911

b:38.5
occ:1.00
F01 B:FGG911 0.0 38.5 1.0
C02 B:FGG911 1.3 30.8 1.0
C03 B:FGG911 2.3 29.9 1.0
C01 B:FGG911 2.4 26.7 1.0
C04 B:FGG911 2.7 26.9 1.0
O01 B:FGG911 2.8 20.3 1.0
O B:HOH1430 3.3 23.9 1.0
C16 B:FGG911 3.7 20.8 1.0
O B:HOH1289 3.7 15.5 1.0
CG2 B:VAL610 3.8 13.1 1.0
CG1 B:VAL610 4.0 16.9 1.0
P02 B:FGG911 4.0 15.5 1.0
C05 B:FGG911 4.2 27.5 1.0
OD2 B:ASP613 4.2 15.2 1.0
O03 B:FGG911 4.3 16.1 1.0
CB B:VAL610 4.3 16.8 1.0
CA B:VAL610 4.4 17.4 1.0
O07 B:FGG911 4.5 15.4 1.0
C17 B:FGG911 4.7 28.0 1.0
C06 B:FGG911 4.9 33.3 1.0
CG B:ASP613 4.9 12.6 1.0

Reference:

M.Koksal, Y.Jin, R.M.Coates, R.Croteau, D.W.Christianson. Taxadiene Synthase Structure and Evolution of Modular Architecture in Terpene Biosynthesis. Nature V. 469 116 2011.
ISSN: ISSN 0028-0836
PubMed: 21160477
DOI: 10.1038/NATURE09628
Page generated: Sun Dec 13 11:53:04 2020

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