Atomistry » Fluorine » PDB 6zqs-7adg » 6zr6
Atomistry »
  Fluorine »
    PDB 6zqs-7adg »
      6zr6 »

Fluorine in PDB 6zr6: 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Non-Steroidal Inhibitor

Protein crystallography data

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Non-Steroidal Inhibitor, PDB code: 6zr6 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) 46.12 / 1.50
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 91.102, 91.102, 132.098, 90, 90, 90
R / Rfree (%) 15.2 / 18

Other elements in 6zr6:

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Non-Steroidal Inhibitor 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 Non-Steroidal Inhibitor (pdb code 6zr6). 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 Non-Steroidal Inhibitor, PDB code: 6zr6:

Fluorine binding site 1 out of 1 in 6zr6

Go back to Fluorine Binding Sites List in 6zr6
Fluorine binding site 1 out of 1 in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Non-Steroidal Inhibitor


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 Non-Steroidal Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F304

b:19.1
occ:1.00
F A:F45304 0.0 19.1 1.0
C13 A:F45304 1.3 16.4 1.0
C14 A:F45304 2.3 18.2 1.0
C12 A:F45304 2.4 18.3 1.0
O2 A:F45304 2.7 18.4 1.0
OG A:SER141 2.9 17.7 1.0
CG1 A:VAL143 3.6 19.3 1.0
C11 A:F45304 3.6 19.2 1.0
C15 A:F45304 3.6 17.0 1.0
C5N A:NAD302 3.7 16.4 1.0
C4N A:NAD302 3.7 15.6 1.0
O A:PRO184 3.7 16.4 1.0
C A:GLY185 4.0 19.3 1.0
O A:GLY185 4.0 21.2 1.0
CA A:GLY185 4.0 17.7 1.0
C10 A:F45304 4.1 18.9 1.0
CB A:SER141 4.3 16.3 1.0
N A:VAL143 4.3 15.5 1.0
CG2 A:VAL143 4.4 19.6 1.0
N A:LEU142 4.5 15.0 1.0
CB A:VAL143 4.5 18.5 1.0
N A:ASN186 4.6 19.3 1.0
C A:PRO184 4.6 16.6 1.0
CB A:LEU142 4.7 16.2 1.0
N A:GLY185 4.8 16.4 1.0
C6N A:NAD302 4.8 17.2 1.0
C3N A:NAD302 4.9 15.0 1.0
CA A:SER141 5.0 14.2 1.0
CA A:VAL143 5.0 15.9 1.0
CA A:LEU142 5.0 15.3 1.0

Reference:

M.J.Badran, A.Heine, G.Klebe. 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Non-Steroidal Inhibitor To Be Published.
Page generated: Fri Aug 2 05:26:26 2024

Last articles

Cl in 2QTS
Cl in 2QT6
Cl in 2QU5
Cl in 2QU3
Cl in 2QRB
Cl in 2QSQ
Cl in 2QSZ
Cl in 2QSC
Cl in 2QSK
Cl in 2QS7
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy