Atomistry » Potassium » PDB 6doj-6dxv » 6dvo
Atomistry »
  Potassium »
    PDB 6doj-6dxv »
      6dvo »

Potassium in PDB 6dvo: Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Bavarostat

Protein crystallography data

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Bavarostat, PDB code: 6dvo was solved by N.J.Porter, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.10 / 1.98
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 97.230, 97.230, 78.900, 90.00, 90.00, 120.00
R / Rfree (%) 16.8 / 21.6

Other elements in 6dvo:

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Bavarostat also contains other interesting chemical elements:

Fluorine (F) 1 atom
Zinc (Zn) 1 atom

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Bavarostat (pdb code 6dvo). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Bavarostat, PDB code: 6dvo:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 6dvo

Go back to Potassium Binding Sites List in 6dvo
Potassium binding site 1 out of 2 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Bavarostat


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Bavarostat within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K802

b:15.8
occ:1.00
O A:ASP612 2.6 14.7 1.0
O A:LEU634 2.7 16.9 1.0
O A:HIS614 2.7 15.2 1.0
OG A:SER633 2.8 14.9 1.0
O A:ASP610 2.8 17.0 1.0
OD1 A:ASP610 2.9 13.8 1.0
CG A:ASP610 3.3 14.7 1.0
C A:ASP610 3.5 17.0 1.0
C A:LEU634 3.6 16.9 1.0
C A:ASP612 3.6 14.3 1.0
C A:HIS614 3.7 14.8 1.0
CB A:ASP610 3.8 15.3 1.0
OD2 A:ASP610 3.9 14.9 1.0
CB A:HIS635 3.9 15.9 1.0
N A:LEU634 3.9 17.0 1.0
CB A:SER633 4.0 14.4 1.0
N A:ASP612 4.0 14.8 1.0
CA A:ASP612 4.2 13.4 1.0
CA A:HIS615 4.2 13.8 1.0
N A:TRP611 4.2 16.9 1.0
CA A:SER633 4.3 14.9 1.0
C A:TRP611 4.3 15.9 1.0
CB A:ASP612 4.3 12.6 1.0
CA A:ASP610 4.3 16.5 1.0
N A:HIS615 4.3 14.0 1.0
ND1 A:HIS635 4.3 16.3 1.0
CA A:TRP611 4.4 16.9 1.0
CA A:HIS635 4.4 16.9 1.0
N A:HIS614 4.4 14.0 1.0
C A:SER633 4.4 16.2 1.0
CA A:LEU634 4.4 16.9 1.0
N A:HIS635 4.4 16.9 1.0
O A:HOH947 4.5 13.9 1.0
N A:GLY616 4.5 14.4 1.0
CG A:HIS635 4.6 16.7 1.0
C A:VAL613 4.6 13.8 1.0
OH A:TYR631 4.7 17.9 1.0
CA A:HIS614 4.7 14.4 1.0
C A:HIS615 4.7 14.1 1.0
N A:VAL613 4.7 14.1 1.0
CE1 A:HIS573 5.0 12.8 1.0

Potassium binding site 2 out of 2 in 6dvo

Go back to Potassium Binding Sites List in 6dvo
Potassium binding site 2 out of 2 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Bavarostat


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Bavarostat within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K803

b:32.4
occ:1.00
O A:VAL629 2.6 21.6 1.0
O A:PHE623 2.7 21.1 1.0
O A:HOH967 2.7 20.0 1.0
O A:TYR662 2.8 24.2 1.0
O A:ASP626 2.9 28.2 1.0
O A:HOH962 3.2 20.6 1.0
C A:TYR662 3.6 24.5 1.0
CB A:TYR662 3.6 25.7 1.0
C A:PHE623 3.7 21.8 1.0
CB A:PHE623 3.7 20.6 1.0
C A:VAL629 3.9 22.2 1.0
C A:ASP626 4.1 29.1 1.0
CA A:TYR662 4.2 25.5 1.0
CA A:PHE623 4.3 21.1 1.0
N A:TYR631 4.4 19.2 1.0
N A:ASN663 4.5 23.3 1.0
CA A:LEU630 4.5 20.8 1.0
N A:ASP626 4.5 30.4 1.0
N A:GLU624 4.6 22.9 1.0
N A:LEU630 4.7 21.6 1.0
O A:GLU624 4.7 25.3 1.0
CA A:GLU624 4.7 25.3 1.0
CA A:ASP626 4.7 30.4 1.0
C A:GLU624 4.8 26.0 1.0
CB A:ASP626 4.8 31.2 1.0
CB A:TYR631 4.8 17.1 1.0
CA A:ASN663 4.9 21.9 1.0
O A:GLY659 4.9 31.4 1.0
CA A:VAL629 4.9 22.1 1.0
C A:LEU630 4.9 20.3 1.0
CG A:TYR662 4.9 27.3 1.0
CG A:PHE623 5.0 20.8 1.0
CB A:ASN663 5.0 20.6 1.0

Reference:

N.J.Porter, J.D.Osko, D.Diedrich, T.Kurz, J.M.Hooker, F.K.Hansen, D.W.Christianson. Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity. J. Med. Chem. V. 61 8054 2018.
ISSN: ISSN 1520-4804
PubMed: 30118224
DOI: 10.1021/ACS.JMEDCHEM.8B01013
Page generated: Mon Dec 14 00:35:07 2020

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