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Potassium in PDB 7u69: Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-Acrylhydroxamic Acid Inhibitor

Enzymatic activity of Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-Acrylhydroxamic Acid Inhibitor

All present enzymatic activity of Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-Acrylhydroxamic Acid Inhibitor:
3.5.1.48; 3.5.1.62;

Protein crystallography data

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-Acrylhydroxamic Acid Inhibitor, PDB code: 7u69 was solved by C.J.Herbst-Gervasoni, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.68 / 2.50
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 80.389, 80.389, 247.514, 90, 90, 120
R / Rfree (%) 18.1 / 23.4

Other elements in 7u69:

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-Acrylhydroxamic Acid Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-Acrylhydroxamic Acid Inhibitor (pdb code 7u69). 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 10 in Complex with Phenethyl Piperidine-4-Acrylhydroxamic Acid Inhibitor, PDB code: 7u69:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 7u69

Go back to Potassium Binding Sites List in 7u69
Potassium binding site 1 out of 2 in the Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-Acrylhydroxamic Acid Inhibitor


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 10 in Complex with Phenethyl Piperidine-4-Acrylhydroxamic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K702

b:31.1
occ:1.00
 O A:TRP196 2.7 34.3 1.0
O A:HIS176 2.7 25.6 1.0
O A:ASP174 2.7 32.3 1.0
OD2 A:ASP172 2.8 30.9 1.0
O A:ASP172 2.8 31.7 1.0
OG A:SER195 2.9 26.8 1.0
CG A:ASP172 3.1 31.1 1.0
OD1 A:ASP172 3.6 32.5 1.0
C A:ASP174 3.6 34.5 1.0
C A:ASP172 3.6 34.6 1.0
C A:HIS176 3.8 31.8 1.0
CB A:SER195 3.8 27.6 1.0
N A:ASP174 3.8 27.9 1.0
C A:TRP196 3.8 31.8 1.0
CB A:ASP172 3.9 27.0 1.0
N A:TRP196 4.0 27.4 1.0
CA A:ASP174 4.0 29.2 1.0
CB A:ASP174 4.0 28.0 1.0
CA A:SER195 4.2 29.0 1.0
C A:TRP173 4.3 26.0 1.0
CB A:HIS197 4.3 30.4 1.0
CA A:ASP172 4.3 27.4 1.0
N A:TRP173 4.3 33.6 1.0
N A:HIS176 4.4 35.0 1.0
CA A:HIS177 4.4 33.1 1.0
C A:SER195 4.4 32.9 1.0
N A:GLY178 4.5 27.8 1.0
ND1 A:HIS197 4.5 33.8 1.0
CA A:TRP173 4.5 27.6 1.0
N A:HIS177 4.5 30.0 1.0
CA A:TRP196 4.6 32.2 1.0
N A:VAL175 4.6 31.9 1.0
CD1 A:TRP196 4.6 24.6 1.0
CE1 A:HIS136 4.7 32.5 1.0
C A:VAL175 4.7 34.2 1.0
OH A:TYR193 4.7 30.6 1.0
CA A:HIS197 4.7 27.8 1.0
CA A:HIS176 4.8 31.0 1.0
N A:HIS197 4.8 31.1 1.0
C A:HIS177 4.9 29.3 1.0
ND1 A:HIS136 4.9 33.3 1.0
CG A:HIS197 4.9 32.7 1.0
CA A:VAL175 5.0 33.3 1.0

Potassium binding site 2 out of 2 in 7u69

Go back to Potassium Binding Sites List in 7u69
Potassium binding site 2 out of 2 in the Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-Acrylhydroxamic Acid Inhibitor


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 10 in Complex with Phenethyl Piperidine-4-Acrylhydroxamic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K703

b:51.2
occ:1.00
 O A:VAL191 2.5 39.8 1.0
O A:PHE185 2.6 34.0 1.0
O A:HOH838 2.6 36.0 1.0
O A:ASP188 3.0 39.3 1.0
O A:PHE224 3.1 29.6 1.0
O A:HOH877 3.2 31.4 1.0
C A:PHE185 3.5 32.8 1.0
CB A:PHE185 3.7 31.3 1.0
CB A:PHE224 3.7 30.8 1.0
C A:PHE224 3.7 35.2 1.0
C A:VAL191 3.8 36.8 1.0
C A:ASP188 4.1 38.2 1.0
CA A:PHE185 4.2 37.2 1.0
CA A:PHE224 4.3 37.9 1.0
N A:GLU186 4.3 32.1 1.0
CA A:GLU186 4.4 36.7 1.0
N A:ASN225 4.5 30.9 1.0
N A:ASP188 4.5 38.7 1.0
N A:TYR193 4.5 25.8 1.0
CA A:LEU192 4.6 33.7 1.0
N A:LEU192 4.6 34.9 1.0
C A:GLU186 4.7 40.7 1.0
CA A:VAL191 4.7 34.8 1.0
CB A:VAL191 4.7 32.6 1.0
CA A:ASP188 4.7 38.8 1.0
O A:GLU186 4.8 36.9 1.0
O A:GLY221 4.9 40.7 1.0
CB A:ASP188 4.9 33.2 1.0
N A:VAL191 4.9 31.7 1.0
CB A:TYR193 4.9 23.6 1.0
CA A:ASN225 5.0 33.4 1.0
CG1 A:VAL191 5.0 30.0 1.0
CG A:PHE224 5.0 35.5 1.0
C A:LEU192 5.0 35.6 1.0

Reference:

P.Zeyen, Y.Zeyn, D.Herp, F.Mahmoudi, T.Z.Yesiloglu, F.Erdmann, M.Schmidt, D.Robaa, C.Romier, J.Ridinger, C.J.Herbst-Gervasoni, D.W.Christianson, I.Oehme, M.Jung, O.H.Kramer, W.Sippl. Identification of Histone Deacetylase 10 (HDAC10) Inhibitors That Modulate Autophagy in Transformed Cells. Eur.J.Med.Chem. V. 234 14272 2022.
ISSN: ISSN 0223-5234
PubMed: 35306288
DOI: 10.1016/J.EJMECH.2022.114272
Page generated: Mon Aug 12 21:19:06 2024

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