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Fluorine in PDB 6zdi: 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: 6zdi 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) 46.34 / 2.13
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 91.254, 91.254, 133.167, 90, 90, 90
R / Rfree (%) 21.1 / 26.2

Other elements in 6zdi:

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 6zdi). 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: 6zdi:

Fluorine binding site 1 out of 1 in 6zdi

Go back to Fluorine Binding Sites List in 6zdi
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:F303

b:33.8
occ:1.00
F A:QFT303 0.0 33.8 1.0
C5 A:QFT303 1.4 31.0 1.0
C4 A:QFT303 2.3 29.1 1.0
C A:QFT303 2.4 27.8 1.0
O A:QFT303 2.8 29.2 1.0
OG A:SER141 3.0 25.8 1.0
CG1 A:VAL143 3.5 26.0 1.0
C3 A:QFT303 3.6 29.4 1.0
C1 A:QFT303 3.6 27.6 1.0
C4N A:NAD301 3.7 26.6 1.0
C5N A:NAD301 3.8 26.6 1.0
O A:PRO184 4.0 22.3 1.0
O A:GLY185 4.0 32.9 1.0
C2 A:QFT303 4.1 31.0 1.0
C A:GLY185 4.1 26.9 1.0
CA A:GLY185 4.2 26.7 1.0
CG2 A:VAL143 4.3 30.6 1.0
CB A:SER141 4.3 24.0 1.0
N A:VAL143 4.5 26.7 1.0
CB A:VAL143 4.5 31.2 1.0
N A:LEU142 4.6 26.2 1.0
N A:ASN186 4.7 26.5 1.0
N7N A:NAD301 4.8 26.6 1.0
C3N A:NAD301 4.8 21.6 1.0
C A:PRO184 4.8 25.7 1.0
CB A:LEU142 4.9 25.3 1.0
C6N A:NAD301 4.9 23.5 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: Tue Jul 15 18:11:51 2025

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