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Potassium in PDB 5een: Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat

Enzymatic activity of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat

All present enzymatic activity of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat:
3.5.1.98;

Protein crystallography data

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat, PDB code: 5een was solved by Y.Hai, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 17.06 / 1.86
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 75.972, 95.483, 96.336, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 22.4

Other elements in 5een:

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

Chlorine (Cl) 2 atoms
Zinc (Zn) 2 atoms

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 Belinostat (pdb code 5een). 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 Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat, PDB code: 5een:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 5een

Go back to Potassium Binding Sites List in 5een
Potassium binding site 1 out of 4 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat


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 Belinostat within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K801

b:14.8
occ:1.00
 O B:ASP612 2.6 12.2 1.0
O B:LEU634 2.7 12.2 1.0
OD1 B:ASP610 2.7 13.2 1.0
OG B:SER633 2.7 14.3 1.0
O B:HIS614 2.7 11.8 1.0
O B:ASP610 2.8 11.7 1.0
CG B:ASP610 3.2 13.4 1.0
C B:ASP610 3.5 11.8 1.0
C B:ASP612 3.6 11.4 1.0
C B:LEU634 3.6 13.0 1.0
C B:HIS614 3.7 11.9 1.0
CB B:ASP610 3.8 12.8 1.0
N B:ASP612 3.9 10.8 1.0
CB B:SER633 3.9 14.6 1.0
N B:LEU634 3.9 13.6 1.0
CB B:HIS635 4.0 12.9 1.0
OD2 B:ASP610 4.0 14.0 1.0
CA B:ASP612 4.1 10.7 1.0
N B:TRP611 4.2 11.5 1.0
C B:TRP611 4.2 11.0 1.0
CA B:ASP610 4.2 11.8 1.0
CB B:ASP612 4.3 10.4 1.0
CA B:HIS615 4.3 11.3 1.0
CA B:SER633 4.3 14.3 1.0
CA B:TRP611 4.4 11.4 1.0
O B:HOH928 4.4 11.9 1.0
ND1 B:HIS635 4.4 12.2 1.0
N B:HIS615 4.4 11.7 1.0
N B:HIS614 4.4 11.9 1.0
CA B:HIS635 4.4 13.7 1.0
N B:HIS635 4.4 13.7 1.0
C B:SER633 4.5 14.2 1.0
CA B:LEU634 4.5 13.5 1.0
N B:GLY616 4.5 10.9 1.0
C B:VAL613 4.6 12.7 1.0
CG B:HIS635 4.6 12.3 1.0
N B:VAL613 4.7 11.7 1.0
CA B:HIS614 4.7 12.1 1.0
C B:HIS615 4.8 11.2 1.0
OH B:TYR631 4.8 11.6 1.0
CE1 B:HIS573 4.9 11.0 1.0
O B:TRP611 4.9 10.7 1.0
CA B:VAL613 5.0 12.4 1.0

Potassium binding site 2 out of 4 in 5een

Go back to Potassium Binding Sites List in 5een
Potassium binding site 2 out of 4 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat


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 Belinostat within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K802

b:16.2
occ:1.00
 O B:PHE623 2.7 15.3 1.0
O B:HOH907 2.8 16.0 1.0
O B:VAL629 2.8 13.8 1.0
O B:TYR662 2.8 17.3 1.0
O B:ASP626 2.9 21.2 1.0
O B:HOH974 3.0 16.6 1.0
C B:TYR662 3.6 17.8 1.0
C B:PHE623 3.6 15.4 1.0
CB B:TYR662 3.7 19.4 1.0
CB B:PHE623 3.8 12.9 1.0
C B:VAL629 4.0 14.6 1.0
C B:ASP626 4.0 21.9 1.0
CA B:TYR662 4.3 19.1 1.0
CA B:PHE623 4.3 14.0 1.0
N B:TYR631 4.3 13.5 1.0
N B:ASN663 4.4 17.6 1.0
N B:ASP626 4.4 21.8 1.0
N B:GLU624 4.5 16.3 1.0
CA B:GLU624 4.5 18.0 1.0
CA B:ASP626 4.6 22.3 1.0
O B:GLU624 4.6 18.7 1.0
C B:GLU624 4.6 19.0 1.0
CA B:LEU630 4.6 14.2 1.0
CB B:ASP626 4.6 23.4 1.0
CB B:TYR631 4.8 12.3 1.0
CB B:ASN663 4.8 18.1 1.0
CA B:ASN663 4.8 17.9 1.0
N B:LEU630 4.8 14.5 1.0
O B:GLY659 4.8 21.5 1.0
C B:LEU630 5.0 14.3 1.0

Potassium binding site 3 out of 4 in 5een

Go back to Potassium Binding Sites List in 5een
Potassium binding site 3 out of 4 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat


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 Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K801

b:16.1
occ:1.00
 O A:ASP612 2.6 9.6 1.0
O A:LEU634 2.7 11.3 1.0
O A:HIS614 2.7 11.0 1.0
OG A:SER633 2.7 11.3 1.0
O A:ASP610 2.8 10.4 1.0
OD1 A:ASP610 2.8 13.9 1.0
CG A:ASP610 3.2 14.0 1.0
C A:ASP610 3.5 11.1 1.0
C A:ASP612 3.6 9.9 1.0
C A:LEU634 3.7 10.9 1.0
CB A:ASP610 3.7 12.5 1.0
C A:HIS614 3.7 10.1 1.0
N A:ASP612 3.9 10.1 1.0
N A:LEU634 3.9 11.2 1.0
OD2 A:ASP610 3.9 14.7 1.0
CB A:SER633 3.9 11.7 1.0
CB A:HIS635 4.0 11.3 1.0
CA A:ASP612 4.1 10.0 1.0
CA A:ASP610 4.2 11.6 1.0
N A:TRP611 4.2 10.5 1.0
C A:TRP611 4.2 10.4 1.0
CB A:ASP612 4.2 9.9 1.0
CA A:HIS615 4.3 10.0 1.0
CA A:SER633 4.3 12.0 1.0
CA A:TRP611 4.4 10.0 1.0
N A:HIS615 4.4 10.0 1.0
ND1 A:HIS635 4.4 11.9 1.0
CA A:LEU634 4.4 10.8 1.0
N A:HIS614 4.5 9.9 1.0
C A:SER633 4.5 12.2 1.0
O A:HOH928 4.5 12.6 1.0
CA A:HIS635 4.5 11.0 1.0
N A:HIS635 4.5 10.9 1.0
N A:GLY616 4.5 10.1 1.0
CG A:HIS635 4.7 11.4 1.0
C A:VAL613 4.7 10.6 1.0
CA A:HIS614 4.7 10.0 1.0
N A:VAL613 4.7 9.8 1.0
C A:HIS615 4.8 10.0 1.0
OH A:TYR631 4.8 11.9 1.0
CE1 A:HIS573 4.9 12.2 1.0
O A:TRP611 5.0 10.8 1.0

Potassium binding site 4 out of 4 in 5een

Go back to Potassium Binding Sites List in 5een
Potassium binding site 4 out of 4 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat


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 Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K802

b:21.0
occ:1.00
 O A:VAL629 2.7 13.7 1.0
O A:HOH962 2.7 17.4 1.0
O A:PHE623 2.8 18.3 1.0
O A:ASP626 2.9 23.2 1.0
O A:TYR662 2.9 17.9 1.0
O A:HOH993 3.0 13.4 1.0
CB A:TYR662 3.6 21.0 1.0
C A:TYR662 3.6 18.1 1.0
C A:PHE623 3.7 17.8 1.0
CB A:PHE623 3.9 16.6 1.0
C A:VAL629 3.9 14.0 1.0
C A:ASP626 4.0 23.6 1.0
CA A:TYR662 4.2 19.5 1.0
N A:TYR631 4.3 12.8 1.0
N A:ASN663 4.4 17.4 1.0
CA A:PHE623 4.4 17.2 1.0
N A:ASP626 4.4 24.5 1.0
CA A:ASP626 4.6 24.5 1.0
CA A:LEU630 4.6 14.3 1.0
N A:GLU624 4.6 17.9 1.0
CB A:ASP626 4.6 25.7 1.0
CA A:GLU624 4.6 19.6 1.0
O A:GLU624 4.6 20.0 1.0
C A:GLU624 4.7 20.4 1.0
N A:LEU630 4.7 13.8 1.0
CA A:ASN663 4.8 16.7 1.0
CB A:TYR631 4.8 12.6 1.0
CB A:ASN663 4.8 16.2 1.0
O A:GLY659 4.8 23.4 1.0
CG A:TYR662 4.9 23.0 1.0
C A:LEU630 4.9 13.5 1.0
CA A:VAL629 5.0 15.2 1.0

Reference:

Y.Hai, D.W.Christianson. Histone Deacetylase 6 Structure and Molecular Basis of Catalysis and Inhibition. Nat.Chem.Biol. V. 12 741 2016.
ISSN: ESSN 1552-4469
PubMed: 27454933
DOI: 10.1038/NCHEMBIO.2134
Page generated: Mon Aug 12 13:25:06 2024

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