Fluorine in PDB 6zra: 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol

Protein crystallography data

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol, PDB code: 6zra was solved by M.J.Badran, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.20 / 1.73
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 91.15, 91.15, 132.498, 90, 90, 90
R / Rfree (%) 16.7 / 17.7

Other elements in 6zra:

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol also contains other interesting chemical elements:

Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol (pdb code 6zra). 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 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol, PDB code: 6zra:

Fluorine binding site 1 out of 1 in 6zra

Go back to Fluorine Binding Sites List in 6zra
Fluorine binding site 1 out of 1 in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:38.8
occ:0.72
F A:QFT301 0.0 38.8 0.7
C5 A:QFT301 1.4 35.3 0.7
C A:QFT301 2.4 33.8 0.7
C4 A:QFT301 2.4 37.5 0.7
O A:QFT301 2.7 40.4 0.7
CD1 A:TRP192 3.2 26.9 1.0
CG A:TRP192 3.4 26.8 1.0
CD1 A:LEU195 3.4 30.5 1.0
O A:HOH528 3.5 43.9 1.0
NE1 A:TRP192 3.5 22.8 1.0
C3 A:QFT301 3.6 33.0 0.7
C1 A:QFT301 3.6 28.8 0.7
CA A:TRP192 3.7 25.5 1.0
CD2 A:TRP192 3.9 26.4 1.0
O A:HOH505 3.9 48.7 1.0
CE2 A:TRP192 3.9 25.9 1.0
CB A:TRP192 3.9 25.9 1.0
C2 A:QFT301 4.1 33.8 0.7
N A:TRP192 4.2 24.6 1.0
O7N A:NAD303 4.5 23.7 1.0
CG A:LEU195 4.5 32.9 1.0
O A:LEU191 4.6 26.1 1.0
CB A:LEU195 4.7 29.7 1.0
C A:LEU191 4.7 27.6 1.0
C7N A:NAD303 4.8 24.2 1.0
CE3 A:TRP192 4.8 27.1 1.0
N7N A:NAD303 4.8 25.1 1.0
C A:TRP192 4.8 27.8 1.0
CZ2 A:TRP192 4.9 28.6 1.0
CG A:LEU191 4.9 31.2 1.0
O A:TRP192 4.9 26.4 1.0

Reference:

M.J.Badran, A.Heine, G.Klebe. 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol To Be Published.
Page generated: Sat Aug 21 13:45:17 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy