Atomistry » Sodium » PDB 6f1p-6flu » 6ffb
Atomistry »
  Sodium »
    PDB 6f1p-6flu »
      6ffb »

Sodium in PDB 6ffb: 17BETA-Hydroxysteroid Dehydrogenase 14 Variant S205 - Mutant Q148A - in Complex with A Nonsteroidal Inhibitor

Protein crystallography data

The structure of 17BETA-Hydroxysteroid Dehydrogenase 14 Variant S205 - Mutant Q148A - in Complex with A Nonsteroidal Inhibitor, PDB code: 6ffb was solved by N.Bertoletti, A.Heine, G.Klebe, S.Marchais-Oberwinkler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.34 / 1.65
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 91.645, 91.645, 132.555, 90.00, 90.00, 90.00
R / Rfree (%) 14.9 / 17.5

Other elements in 6ffb:

The structure of 17BETA-Hydroxysteroid Dehydrogenase 14 Variant S205 - Mutant Q148A - in Complex with A Nonsteroidal Inhibitor also contains other interesting chemical elements:

Fluorine (F) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the 17BETA-Hydroxysteroid Dehydrogenase 14 Variant S205 - Mutant Q148A - in Complex with A Nonsteroidal Inhibitor (pdb code 6ffb). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the 17BETA-Hydroxysteroid Dehydrogenase 14 Variant S205 - Mutant Q148A - in Complex with A Nonsteroidal Inhibitor, PDB code: 6ffb:

Sodium binding site 1 out of 1 in 6ffb

Go back to Sodium Binding Sites List in 6ffb
Sodium binding site 1 out of 1 in the 17BETA-Hydroxysteroid Dehydrogenase 14 Variant S205 - Mutant Q148A - in Complex with A Nonsteroidal Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of 17BETA-Hydroxysteroid Dehydrogenase 14 Variant S205 - Mutant Q148A - in Complex with A Nonsteroidal Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na302

b:21.2
occ:1.00
O A:GLU50 2.3 20.8 0.5
O A:ALA56 2.4 15.7 1.0
O A:HOH572 2.4 40.9 1.0
O A:HOH496 2.4 37.5 1.0
O A:GLU50 2.4 17.4 0.5
O A:HOH547 2.4 35.8 1.0
O A:LEU53 2.4 20.4 1.0
HG3 A:GLU50 2.7 28.9 0.5
H A:ALA56 3.2 18.4 1.0
HA A:PRO54 3.4 23.9 1.0
HG3 A:GLU50 3.4 29.2 0.5
C A:GLU50 3.4 14.4 0.5
C A:GLU50 3.4 15.8 0.5
HA A:GLU50 3.4 18.6 0.5
HA A:GLU50 3.4 19.4 0.5
HG2 A:GLU50 3.4 28.9 0.5
C A:LEU53 3.5 19.3 1.0
CG A:GLU50 3.5 24.1 0.5
C A:ALA56 3.5 16.6 1.0
H A:GLY55 3.8 25.1 1.0
N A:ALA56 3.8 15.3 1.0
CA A:GLU50 3.9 15.5 0.5
CA A:GLU50 3.9 16.1 0.5
CA A:PRO54 4.0 19.9 1.0
HB3 A:ALA56 4.0 23.2 1.0
H A:LEU53 4.1 19.0 1.0
N A:PRO54 4.1 20.9 1.0
N A:GLY55 4.2 21.0 1.0
CG A:GLU50 4.2 24.4 0.5
CA A:ALA56 4.2 15.3 1.0
HA A:VAL57 4.2 21.7 1.0
HG12 A:VAL57 4.2 22.0 1.0
CB A:GLU50 4.3 22.8 0.5
HG2 A:GLU50 4.4 29.2 0.5
C A:PRO54 4.5 22.0 1.0
HA A:GLN51 4.5 21.7 1.0
CB A:GLU50 4.5 23.1 0.5
N A:LEU53 4.5 15.8 1.0
HB2 A:LEU53 4.5 18.1 1.0
CA A:LEU53 4.5 15.3 1.0
N A:GLN51 4.5 17.6 1.0
N A:VAL57 4.6 14.7 1.0
CD A:GLU50 4.6 20.0 0.5
HB2 A:GLU50 4.6 27.7 0.5
CB A:ALA56 4.7 19.3 1.0
HB2 A:GLU50 4.7 27.3 0.5
HG13 A:VAL57 4.7 22.0 1.0
OE2 A:GLU50 4.8 23.8 0.5
C A:GLY55 4.8 22.8 1.0
CA A:VAL57 4.9 18.1 1.0
CA A:GLN51 4.9 18.1 1.0
O A:HOH417 4.9 38.7 1.0
CG1 A:VAL57 4.9 18.4 1.0
O A:LEU49 5.0 20.4 1.0
C A:GLN51 5.0 15.2 1.0

Reference:

M.J.Badran, N.Bertoletti, A.Keils, A.Heine, G.Klebe, S.Marchais-Oberwinkler. Mutational and Structural Studies Uncover Crucial Amino Acids Determining Activity and Stability of 17 Beta-HSD14. J.Steroid Biochem.Mol.Biol. V. 189 135 2019.
ISSN: ISSN 0960-0760
PubMed: 30836176
DOI: 10.1016/J.JSBMB.2019.02.009
Page generated: Tue Dec 15 12:15:06 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy