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Potassium in PDB 4a69: Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate

Enzymatic activity of Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate

All present enzymatic activity of Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate:
3.5.1.98;

Protein crystallography data

The structure of Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate, PDB code: 4a69 was solved by P.J.Watson, L.Fairall, G.M.Santos, J.W.R.Schwabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 95.35 / 2.06
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 86.447, 118.634, 190.707, 90.00, 90.00, 90.00
R / Rfree (%) 18.702 / 23.617

Other elements in 4a69:

The structure of Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate (pdb code 4a69). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate, PDB code: 4a69:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 4a69

Go back to Potassium Binding Sites List in 4a69
Potassium binding site 1 out of 4 in the Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K503

b:18.6
occ:1.00
 OD1 A:ASP168 2.5 18.2 1.0
O A:ASP170 2.6 18.6 1.0
O A:PHE192 2.7 19.7 1.0
O A:HIS172 2.7 16.2 1.0
OG A:SER191 2.9 20.3 1.0
O A:ASP168 3.0 19.7 1.0
CG A:ASP168 3.3 19.4 1.0
C A:ASP168 3.6 20.1 1.0
C A:ASP170 3.6 18.9 1.0
C A:PHE192 3.7 20.0 1.0
C A:HIS172 3.7 16.2 1.0
N A:ASP170 3.8 20.3 1.0
CB A:ASP168 3.9 19.4 1.0
N A:PHE192 3.9 20.6 1.0
CB A:HIS193 4.0 18.8 1.0
CA A:ASP170 4.1 18.9 1.0
CB A:ASP170 4.1 18.8 1.0
CB A:SER191 4.2 19.5 1.0
OD2 A:ASP168 4.2 18.7 1.0
C A:ILE169 4.2 21.6 1.0
N A:ILE169 4.2 21.0 1.0
N A:GLY174 4.3 18.1 1.0
N A:HIS172 4.3 16.9 1.0
CA A:ASP168 4.4 19.0 1.0
CA A:HIS173 4.4 17.0 1.0
N A:HIS173 4.4 16.0 1.0
CA A:PHE192 4.4 20.3 1.0
CA A:SER191 4.5 19.6 1.0
ND1 A:HIS193 4.5 19.9 1.0
N A:HIS193 4.5 20.0 1.0
C A:SER191 4.5 19.8 1.0
CA A:HIS193 4.5 19.2 1.0
CA A:ILE169 4.5 22.2 1.0
C A:ILE171 4.6 17.6 1.0
O A:HOH2082 4.6 12.7 1.0
CA A:HIS172 4.6 16.8 1.0
C A:HIS173 4.6 17.0 1.0
N A:ILE171 4.7 18.8 1.0
CE1 A:HIS134 4.7 19.5 1.0
CG A:HIS193 4.7 19.8 1.0
O A:ILE169 4.9 21.3 1.0
O A:ILE171 4.9 18.5 1.0
CA A:ILE171 5.0 17.5 1.0

Potassium binding site 2 out of 4 in 4a69

Go back to Potassium Binding Sites List in 4a69
Potassium binding site 2 out of 4 in the Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K504

b:36.2
occ:1.00
 O A:HOH2090 2.5 26.5 1.0
O A:PHE181 2.5 21.3 1.0
O A:VAL187 2.6 23.4 1.0
O A:THR184 2.8 22.7 1.0
O A:HOH2087 3.0 35.0 1.0
O A:TYR217 3.2 27.1 1.0
C A:PHE181 3.6 21.7 1.0
C A:VAL187 3.8 22.8 1.0
C A:TYR217 3.9 27.5 1.0
C A:THR184 4.0 23.6 1.0
CB A:TYR217 4.1 28.4 1.0
CB A:PHE181 4.2 21.1 1.0
CA A:TYR182 4.3 22.3 1.0
O A:TYR182 4.3 22.1 1.0
N A:TYR182 4.3 21.6 1.0
C A:TYR182 4.4 23.3 1.0
N A:THR184 4.5 23.0 1.0
CA A:MET188 4.5 21.7 1.0
CA A:PHE181 4.5 21.7 1.0
CG2 A:THR184 4.6 22.2 1.0
CA A:TYR217 4.6 28.3 1.0
N A:MET188 4.6 22.3 1.0
N A:CYS218 4.7 26.7 1.0
N A:THR189 4.7 21.5 1.0
O A:GLY214 4.7 29.9 1.0
OG1 A:THR189 4.7 20.4 1.0
CB A:CYS218 4.7 27.8 1.0
CA A:THR184 4.8 23.3 1.0
CA A:VAL187 4.8 22.6 1.0
N A:VAL187 4.8 23.1 1.0
CA A:CYS218 4.9 26.4 1.0
CA A:GLY214 4.9 29.7 1.0
CB A:VAL187 5.0 22.2 1.0

Potassium binding site 3 out of 4 in 4a69

Go back to Potassium Binding Sites List in 4a69
Potassium binding site 3 out of 4 in the Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K503

b:19.4
occ:1.00
 O B:ASP170 2.5 19.4 1.0
O B:PHE192 2.6 18.8 1.0
OD1 B:ASP168 2.7 20.9 1.0
O B:HIS172 2.8 20.4 1.0
O B:ASP168 2.8 18.8 1.0
OG B:SER191 3.0 21.5 1.0
CG B:ASP168 3.4 21.4 1.0
C B:ASP168 3.5 19.9 1.0
C B:PHE192 3.6 21.2 1.0
C B:ASP170 3.6 19.0 1.0
N B:ASP170 3.7 18.4 1.0
N B:PHE192 3.7 22.5 1.0
C B:HIS172 3.8 18.8 1.0
CB B:ASP168 3.9 20.4 1.0
CB B:HIS193 3.9 18.5 1.0
CA B:ASP170 4.1 19.1 1.0
N B:ILE169 4.1 18.4 1.0
CB B:SER191 4.1 22.3 1.0
CB B:ASP170 4.2 19.1 1.0
C B:ILE169 4.2 19.1 1.0
OD2 B:ASP168 4.2 21.5 1.0
CA B:ILE169 4.3 18.6 1.0
ND1 B:HIS193 4.3 17.4 1.0
CA B:ASP168 4.3 19.8 1.0
CA B:SER191 4.3 22.4 1.0
C B:SER191 4.3 22.7 1.0
CA B:PHE192 4.3 21.8 1.0
N B:GLY174 4.4 19.7 1.0
CA B:HIS173 4.4 19.4 1.0
N B:HIS193 4.4 19.9 1.0
CA B:HIS193 4.4 19.5 1.0
N B:HIS173 4.5 18.8 1.0
N B:HIS172 4.5 18.6 1.0
CG B:HIS193 4.6 18.1 1.0
O B:HOH2067 4.6 18.9 1.0
C B:ILE171 4.6 18.2 1.0
N B:ILE171 4.7 18.3 1.0
C B:HIS173 4.7 19.7 1.0
CE1 B:HIS134 4.8 19.2 1.0
CA B:HIS172 4.8 18.3 1.0
O B:ILE169 4.9 18.5 1.0
O B:ILE171 5.0 18.4 1.0
CA B:ILE171 5.0 18.3 1.0

Potassium binding site 4 out of 4 in 4a69

Go back to Potassium Binding Sites List in 4a69
Potassium binding site 4 out of 4 in the Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Structure of HDAC3 Bound to Corepressor and Inositol Tetraphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K504

b:25.4
occ:1.00
 O B:VAL187 2.6 20.6 1.0
O B:HOH2075 2.7 22.4 1.0
O B:PHE181 2.7 21.2 1.0
O B:THR184 2.9 21.0 1.0
O B:HOH2071 2.9 23.6 1.0
O B:TYR217 3.1 23.8 1.0
C B:PHE181 3.7 21.9 1.0
C B:TYR217 3.8 24.3 1.0
C B:VAL187 3.8 20.9 1.0
CB B:TYR217 3.9 22.9 1.0
C B:THR184 4.1 21.7 1.0
CB B:PHE181 4.2 21.3 1.0
CA B:TYR217 4.5 23.5 1.0
CA B:TYR182 4.5 23.1 1.0
N B:TYR182 4.5 22.1 1.0
CA B:MET188 4.5 21.5 1.0
O B:TYR182 4.5 22.5 1.0
C B:TYR182 4.5 22.9 1.0
N B:CYS218 4.5 24.3 1.0
N B:THR184 4.6 21.4 1.0
N B:THR189 4.6 19.9 1.0
CA B:PHE181 4.6 21.5 1.0
N B:MET188 4.7 20.8 1.0
OG1 B:THR189 4.7 19.3 1.0
CG2 B:THR184 4.7 21.6 1.0
O B:GLY214 4.7 24.4 1.0
CB B:CYS218 4.7 24.8 1.0
CA B:VAL187 4.7 21.3 1.0
CA B:THR184 4.8 21.9 1.0
CG2 B:THR189 4.8 20.0 1.0
CB B:VAL187 4.8 20.6 1.0
N B:VAL187 4.9 22.2 1.0
CA B:CYS218 4.9 24.3 1.0
CA B:GLY214 4.9 25.7 1.0

Reference:

P.J.Watson, L.Fairall, G.M.Santos, J.W.R.Schwabe. Structure of HDAC3 Bound to Co-Repressor and Inositol Tetraphosphate. Nature V. 481 335 2012.
ISSN: ISSN 0028-0836
PubMed: 22230954
DOI: 10.1038/NATURE10728
Page generated: Mon Aug 12 10:01:44 2024

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