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Potassium in PDB 5d1b: Crystal Structure of G117E HDAC8 in Complex with Tsa

Enzymatic activity of Crystal Structure of G117E HDAC8 in Complex with Tsa

All present enzymatic activity of Crystal Structure of G117E HDAC8 in Complex with Tsa:
3.5.1.98;

Protein crystallography data

The structure of Crystal Structure of G117E HDAC8 in Complex with Tsa, PDB code: 5d1b was solved by C.Decroos, N.H.Christianson, L.E.Gullett, C.M.Bowman, K.E.Christianson, M.A.Deardorff, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.80 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 52.197, 83.031, 98.460, 90.00, 102.77, 90.00
R / Rfree (%) 19.3 / 22.8

Other elements in 5d1b:

The structure of Crystal Structure of G117E HDAC8 in Complex with Tsa also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of G117E HDAC8 in Complex with Tsa (pdb code 5d1b). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of G117E HDAC8 in Complex with Tsa, PDB code: 5d1b:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 5d1b

Go back to Potassium Binding Sites List in 5d1b
Potassium binding site 1 out of 4 in the Crystal Structure of G117E HDAC8 in Complex with Tsa


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 G117E HDAC8 in Complex with Tsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K402

b:21.2
occ:1.00
 OD1 A:ASP176 2.7 23.2 1.0
O A:LEU200 2.8 21.6 1.0
O A:ASP178 2.8 24.6 1.0
O A:HIS180 2.8 24.3 1.0
OG A:SER199 2.9 21.8 1.0
O A:ASP176 2.9 22.1 1.0
CG A:ASP176 3.4 24.5 1.0
C A:LEU200 3.5 22.5 1.0
C A:ASP176 3.5 22.7 1.0
CB A:HIS201 3.6 23.0 1.0
N A:ASP178 3.6 23.5 1.0
CB A:ASP176 3.7 22.8 1.0
C A:ASP178 3.7 21.9 1.0
C A:HIS180 3.8 24.0 1.0
N A:LEU200 3.9 24.1 1.0
CA A:ASP178 4.0 22.1 1.0
CB A:SER199 4.1 23.5 1.0
CA A:HIS201 4.1 24.2 1.0
ND1 A:HIS201 4.1 26.9 1.0
N A:HIS201 4.2 23.2 1.0
C A:LEU177 4.2 23.6 1.0
CB A:ASP178 4.2 21.5 1.0
N A:LEU177 4.2 23.1 1.0
CA A:ASP176 4.2 23.0 1.0
CA A:HIS181 4.3 24.6 1.0
N A:GLY182 4.3 24.7 1.0
C A:SER199 4.3 25.2 1.0
CG A:HIS201 4.3 26.1 1.0
CA A:SER199 4.3 25.2 1.0
CA A:LEU200 4.4 23.2 1.0
CA A:LEU177 4.4 23.5 1.0
N A:HIS181 4.4 24.4 1.0
OD2 A:ASP176 4.5 24.8 1.0
N A:HIS180 4.6 21.5 1.0
C A:HIS181 4.7 24.9 1.0
C A:LEU179 4.7 21.6 1.0
N A:LEU179 4.8 21.6 1.0
CE1 A:HIS142 4.8 23.8 1.0
CA A:HIS180 4.8 23.2 1.0
O A:LEU177 5.0 26.0 1.0
O A:LEU179 5.0 21.9 1.0

Potassium binding site 2 out of 4 in 5d1b

Go back to Potassium Binding Sites List in 5d1b
Potassium binding site 2 out of 4 in the Crystal Structure of G117E HDAC8 in Complex with Tsa


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 G117E HDAC8 in Complex with Tsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K403

b:35.2
occ:1.00
 O A:PHE189 2.7 29.5 1.0
O A:VAL195 2.7 30.6 1.0
O A:TYR225 2.8 31.8 1.0
O A:THR192 3.1 31.3 1.0
C A:TYR225 3.5 32.1 1.0
CB A:TYR225 3.6 33.0 1.0
C A:PHE189 3.7 29.7 1.0
OG A:SER226 3.8 28.6 1.0
C A:VAL195 3.9 30.3 1.0
O A:GLY222 4.1 34.5 1.0
CA A:TYR225 4.2 33.2 1.0
N A:SER226 4.3 29.5 1.0
CA A:MET196 4.3 31.2 1.0
C A:THR192 4.3 30.4 1.0
CA A:SER190 4.3 30.6 1.0
CB A:PHE189 4.4 27.1 1.0
N A:SER190 4.5 27.8 1.0
N A:THR197 4.5 28.4 1.0
N A:MET196 4.6 30.7 1.0
C A:SER190 4.6 30.6 1.0
N A:THR192 4.7 29.3 1.0
CA A:SER226 4.7 29.1 1.0
CA A:PHE189 4.7 29.7 1.0
CG2 A:THR192 4.7 33.3 1.0
OG1 A:THR197 4.8 27.4 1.0
CA A:GLY222 4.8 34.5 1.0
CB A:SER226 4.8 29.3 1.0
CG A:TYR225 4.9 33.6 1.0
O A:SER190 4.9 30.9 1.0
C A:GLY222 4.9 35.2 1.0
C A:MET196 4.9 30.2 1.0

Potassium binding site 3 out of 4 in 5d1b

Go back to Potassium Binding Sites List in 5d1b
Potassium binding site 3 out of 4 in the Crystal Structure of G117E HDAC8 in Complex with Tsa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of G117E HDAC8 in Complex with Tsa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K402

b:20.5
occ:1.00
 OD1 B:ASP176 2.6 21.8 1.0
O B:ASP178 2.7 24.8 1.0
O B:LEU200 2.8 21.1 1.0
O B:ASP176 2.8 20.7 1.0
O B:HIS180 3.1 23.0 1.0
OG B:SER199 3.1 19.9 1.0
C B:LEU200 3.3 21.9 1.0
C B:ASP176 3.4 21.3 1.0
N B:ASP178 3.4 23.7 1.0
CG B:ASP176 3.5 23.1 1.0
CB B:HIS201 3.6 20.3 1.0
C B:ASP178 3.6 22.1 1.0
N B:LEU200 3.6 23.5 1.0
CB B:ASP176 3.7 21.4 1.0
CA B:ASP178 3.9 22.3 1.0
C B:LEU177 3.9 21.8 1.0
N B:HIS201 4.0 20.5 1.0
N B:LEU177 4.0 21.3 1.0
CA B:HIS201 4.0 21.6 1.0
C B:HIS180 4.1 22.7 1.0
CA B:LEU177 4.1 21.8 1.0
CA B:LEU200 4.1 22.6 1.0
CB B:ASP178 4.2 21.7 1.0
CA B:ASP176 4.2 21.6 1.0
ND1 B:HIS201 4.2 24.3 1.0
CB B:SER199 4.2 21.7 1.0
C B:SER199 4.2 23.4 1.0
CA B:SER199 4.3 23.4 1.0
CG B:HIS201 4.4 23.4 1.0
CA B:HIS181 4.5 21.7 1.0
OD2 B:ASP176 4.6 23.4 1.0
N B:GLY182 4.6 23.0 1.0
N B:HIS181 4.7 21.5 1.0
N B:LEU179 4.8 20.6 1.0
O B:LEU177 4.8 24.2 1.0
C B:LEU179 4.8 20.5 1.0
N B:HIS180 4.8 20.2 1.0
O B:LEU179 4.9 20.8 1.0

Potassium binding site 4 out of 4 in 5d1b

Go back to Potassium Binding Sites List in 5d1b
Potassium binding site 4 out of 4 in the Crystal Structure of G117E HDAC8 in Complex with Tsa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of G117E HDAC8 in Complex with Tsa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K403

b:29.7
occ:1.00
 O B:PHE189 2.6 25.2 1.0
O B:VAL195 2.7 24.7 1.0
O B:TYR225 2.8 27.4 1.0
O B:HOH502 2.9 24.9 1.0
O B:HOH501 3.0 27.4 1.0
O B:THR192 3.3 28.3 1.0
C B:TYR225 3.5 27.6 1.0
CB B:TYR225 3.5 28.5 1.0
OG B:SER226 3.6 26.4 1.0
C B:PHE189 3.7 25.4 1.0
C B:VAL195 3.9 24.4 1.0
CA B:TYR225 4.1 28.8 1.0
N B:SER226 4.2 27.3 1.0
CA B:MET196 4.3 24.6 1.0
O B:GLY222 4.3 29.6 1.0
CB B:PHE189 4.3 22.8 1.0
CA B:SER190 4.3 27.9 1.0
N B:THR197 4.4 24.7 1.0
C B:THR192 4.4 27.4 1.0
N B:SER190 4.5 25.2 1.0
N B:MET196 4.6 24.2 1.0
CA B:SER226 4.7 26.9 1.0
CA B:PHE189 4.7 25.4 1.0
CB B:SER226 4.7 27.1 1.0
C B:SER190 4.7 28.0 1.0
OG1 B:THR197 4.7 23.7 1.0
CG B:TYR225 4.9 29.2 1.0
OG1 B:THR192 4.9 29.5 1.0
C B:MET196 4.9 23.6 1.0
N B:THR192 4.9 26.3 1.0
CG2 B:THR197 5.0 23.9 1.0

Reference:

C.Decroos, N.H.Christianson, L.E.Gullett, C.M.Bowman, K.E.Christianson, M.A.Deardorff, D.W.Christianson. Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia De Lange Syndrome Spectrum Disorders. Biochemistry V. 54 6501 2015.
ISSN: ISSN 0006-2960
PubMed: 26463496
DOI: 10.1021/ACS.BIOCHEM.5B00881
Page generated: Mon Aug 12 13:09:20 2024

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