Chlorine in PDB 6zt2: 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 3-Chloro-2,6-Difluorophenol

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 3-Chloro-2,6-Difluorophenol, PDB code: 6zt2 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)	46.37 / 1.95
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.171, 91.171, 133.47, 90, 90, 90
R / Rfree (%)	17.5 / 21.6

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 3-Chloro-2,6-Difluorophenol also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 3-Chloro-2,6-Difluorophenol (pdb code 6zt2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 3-Chloro-2,6-Difluorophenol, PDB code: 6zt2:

Chlorine binding site 1 out of 1 in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 3-Chloro-2,6-Difluorophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 3-Chloro-2,6-Difluorophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:33.8 occ:1.00 CL A:QPK303 0.0 33.8 1.0 C2 A:QPK303 1.7 30.0 1.0 C3 A:QPK303 2.7 26.8 1.0 C1 A:QPK303 2.7 27.4 1.0 F1 A:QPK303 2.9 29.3 1.0 CD1 A:LEU195 3.7 25.6 1.0 C7N A:NAD302 3.8 22.5 1.0 N7N A:NAD302 3.9 21.7 1.0 O7N A:NAD302 3.9 23.2 1.0 CD1 A:TRP192 3.9 26.5 1.0 C A:QPK303 4.0 27.5 1.0 C4 A:QPK303 4.0 27.2 1.0 CD2 A:LEU191 4.0 24.9 1.0 CG A:LEU191 4.2 28.5 1.0 CB A:HIS93 4.3 22.9 1.0 C3N A:NAD302 4.4 20.9 1.0 CD2 A:HIS93 4.4 26.9 1.0 CG A:TRP192 4.4 25.1 1.0 C5 A:QPK303 4.5 28.3 1.0 CG A:HIS93 4.5 27.8 1.0 NE1 A:TRP192 4.5 25.3 1.0 CA A:TRP192 4.5 24.5 1.0 N A:TRP192 4.6 25.4 1.0 CB A:TRP192 4.7 25.3 1.0 C2N A:NAD302 4.9 20.1 1.0 CB A:LEU191 4.9 25.3 1.0 C A:LEU191 4.9 25.3 1.0

M.J.Badran, A.Heine, G.Klebe. 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 3-Chloro-2,6-Difluorophenol To Be Published.