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Potassium in PDB 6uil: Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with 7-[(3-Aminopropyl)Amino]-1,1,1-Trifluoroheptan-2-One

Enzymatic activity of Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with 7-[(3-Aminopropyl)Amino]-1,1,1-Trifluoroheptan-2-One

All present enzymatic activity of Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with 7-[(3-Aminopropyl)Amino]-1,1,1-Trifluoroheptan-2-One:
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 7-[(3-Aminopropyl)Amino]-1,1,1-Trifluoroheptan-2-One, PDB code: 6uil 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) 45.90 / 2.85
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 80.980, 80.980, 242.822, 90.00, 90.00, 120.00
R / Rfree (%) 24.4 / 30.6

Other elements in 6uil:

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with 7-[(3-Aminopropyl)Amino]-1,1,1-Trifluoroheptan-2-One also contains other interesting chemical elements:

Fluorine (F) 3 atoms
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 7-[(3-Aminopropyl)Amino]-1,1,1-Trifluoroheptan-2-One (pdb code 6uil). 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 7-[(3-Aminopropyl)Amino]-1,1,1-Trifluoroheptan-2-One, PDB code: 6uil:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 6uil

Go back to Potassium Binding Sites List in 6uil
Potassium binding site 1 out of 2 in the Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with 7-[(3-Aminopropyl)Amino]-1,1,1-Trifluoroheptan-2-One


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 7-[(3-Aminopropyl)Amino]-1,1,1-Trifluoroheptan-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K705

b:66.7
occ:1.00
O A:ASP174 2.7 54.5 1.0
O A:HIS176 2.8 66.5 1.0
O A:TRP196 2.8 63.2 1.0
O A:ASP172 2.9 59.9 1.0
OG A:SER195 3.0 60.9 1.0
OD1 A:ASP172 3.0 55.8 1.0
CG A:ASP172 3.2 57.5 1.0
C A:HIS176 3.7 65.2 1.0
C A:ASP174 3.7 63.8 1.0
CB A:ASP172 3.7 49.0 1.0
OD2 A:ASP172 3.7 57.1 1.0
C A:ASP172 3.8 53.3 1.0
CB A:SER195 3.9 58.0 1.0
C A:TRP196 3.9 56.9 1.0
CA A:HIS177 4.0 63.7 1.0
CB A:HIS197 4.1 52.9 1.0
N A:GLY178 4.1 55.2 1.0
N A:HIS177 4.2 58.5 1.0
N A:TRP196 4.2 56.8 1.0
CA A:SER195 4.2 61.0 1.0
N A:HIS176 4.4 51.1 1.0
ND1 A:HIS197 4.4 62.7 1.0
CA A:ASP172 4.4 52.1 1.0
N A:ASP174 4.4 43.6 1.0
CA A:ASP174 4.4 56.5 1.0
OH A:TYR193 4.4 56.6 1.0
C A:SER195 4.5 60.0 1.0
CB A:ASP174 4.5 56.2 1.0
C A:HIS177 4.5 66.0 1.0
N A:VAL175 4.6 58.5 1.0
CA A:HIS197 4.6 56.6 1.0
C A:VAL175 4.7 58.1 1.0
CA A:HIS176 4.7 53.0 1.0
CE1 A:HIS136 4.7 51.7 1.0
CA A:VAL175 4.7 61.5 1.0
CG A:HIS197 4.7 63.7 1.0
N A:HIS197 4.7 54.3 1.0
CA A:TRP196 4.8 57.6 1.0
N A:TRP173 4.8 51.8 1.0
ND1 A:HIS136 4.8 51.6 1.0
C A:TRP173 4.9 55.8 1.0

Potassium binding site 2 out of 2 in 6uil

Go back to Potassium Binding Sites List in 6uil
Potassium binding site 2 out of 2 in the Crystal Structure of Danio Rerio Histone Deacetylase 10 in Complex with 7-[(3-Aminopropyl)Amino]-1,1,1-Trifluoroheptan-2-One


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 7-[(3-Aminopropyl)Amino]-1,1,1-Trifluoroheptan-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K706

b:69.1
occ:1.00
O A:PHE185 2.7 60.5 1.0
O A:PHE224 2.8 67.8 1.0
O A:VAL191 2.8 71.2 1.0
O A:HOH811 2.9 66.2 1.0
O A:HOH808 3.0 65.9 1.0
O A:ASP188 3.1 76.2 1.0
C A:PHE224 3.4 76.5 1.0
CB A:PHE224 3.7 74.6 1.0
C A:PHE185 3.8 74.5 1.0
CB A:PHE185 4.0 64.2 1.0
C A:VAL191 4.0 66.0 1.0
N A:ASN225 4.1 75.3 1.0
CA A:PHE224 4.2 74.9 1.0
C A:ASP188 4.3 77.7 1.0
N A:TYR193 4.4 66.0 1.0
CB A:ASN225 4.4 57.8 1.0
CA A:ASN225 4.5 63.0 1.0
O A:GLU186 4.5 71.8 1.0
CA A:PHE185 4.5 70.2 1.0
O A:GLY221 4.6 77.5 1.0
CA A:LEU192 4.7 63.1 1.0
CB A:TYR193 4.7 64.8 1.0
N A:GLU186 4.8 76.1 1.0
N A:LEU192 4.8 63.9 1.0
OD1 A:ASN225 4.9 79.9 1.0
N A:ASP188 4.9 77.4 1.0
CA A:GLU186 4.9 73.7 1.0
C A:GLU186 4.9 72.2 1.0
N A:PHE224 5.0 70.6 1.0

Reference:

C.J.Herbst-Gervasoni, D.W.Christianson. Binding of N8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies For Blocking Polyamine Deacetylation. Biochemistry 2019.
ISSN: ISSN 0006-2960
PubMed: 31746596
DOI: 10.1021/ACS.BIOCHEM.9B00906
Page generated: Mon Aug 12 17:50:08 2024

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