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Zinc in PDB 5efn: Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 (H574A) in Complex with Histone H4 LYS6 Tripeptide Substrate

Enzymatic activity of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 (H574A) in Complex with Histone H4 LYS6 Tripeptide Substrate

All present enzymatic activity of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 (H574A) in Complex with Histone H4 LYS6 Tripeptide Substrate:
3.5.1.98;

Protein crystallography data

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 (H574A) in Complex with Histone H4 LYS6 Tripeptide Substrate, PDB code: 5efn 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) 12.34 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.997, 83.908, 86.903, 90.00, 98.12, 90.00
R / Rfree (%) 16.2 / 19.4

Other elements in 5efn:

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 (H574A) in Complex with Histone H4 LYS6 Tripeptide Substrate also contains other interesting chemical elements:

Potassium (K) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 (H574A) in Complex with Histone H4 LYS6 Tripeptide Substrate (pdb code 5efn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 (H574A) in Complex with Histone H4 LYS6 Tripeptide Substrate, PDB code: 5efn:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 5efn

Go back to Zinc Binding Sites List in 5efn
Zinc binding site 1 out of 2 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 (H574A) in Complex with Histone H4 LYS6 Tripeptide Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 (H574A) in Complex with Histone H4 LYS6 Tripeptide Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:16.6
occ:0.82
OD2 B:ASP705 2.0 10.2 1.0
OD1 B:ASP612 2.1 7.2 1.0
O01 F:5OL4 2.1 16.7 1.0
ND1 B:HIS614 2.1 9.3 1.0
O02 F:5OL4 2.6 18.8 1.0
OD2 B:ASP612 2.7 8.3 1.0
CG B:ASP612 2.7 5.6 1.0
C08 F:5OL4 2.8 19.6 1.0
CE1 B:HIS614 3.0 10.7 1.0
CG B:ASP705 3.1 10.7 1.0
CG B:HIS614 3.2 10.6 1.0
OD1 B:ASP705 3.5 8.1 1.0
CB B:HIS614 3.6 10.8 1.0
C06 F:5OL4 3.9 23.8 1.0
N07 F:5OL4 3.9 23.4 1.0
N B:HIS614 3.9 7.7 1.0
C11 F:5OL4 3.9 19.0 1.0
NE2 B:HIS614 4.1 10.3 1.0
CB B:ASP612 4.2 6.3 1.0
CA B:GLY743 4.2 6.0 1.0
OH B:TYR745 4.2 9.6 1.0
CD2 B:HIS614 4.3 10.1 1.0
NE2 B:HIS573 4.3 8.0 1.0
CG1 B:VAL613 4.3 8.3 1.0
N B:VAL613 4.4 4.9 1.0
CB B:ASP705 4.4 6.6 1.0
CA B:HIS614 4.4 8.7 1.0
CE2 B:TYR745 4.4 9.3 1.0
N B:GLY743 4.6 5.8 1.0
CE1 B:HIS573 4.6 6.9 1.0
C B:ASP612 4.8 6.7 1.0
CZ B:TYR745 4.8 10.6 1.0
CA B:ASP612 4.8 5.2 1.0
C B:VAL613 4.9 7.5 1.0
C B:GLY743 5.0 9.3 1.0
N B:GLY744 5.0 10.7 1.0

Zinc binding site 2 out of 2 in 5efn

Go back to Zinc Binding Sites List in 5efn
Zinc binding site 2 out of 2 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 (H574A) in Complex with Histone H4 LYS6 Tripeptide Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 (H574A) in Complex with Histone H4 LYS6 Tripeptide Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:18.9
occ:0.72
O01 E:5OL4 2.1 20.1 1.0
OD1 A:ASP612 2.1 8.4 1.0
OD2 A:ASP705 2.1 13.5 1.0
ND1 A:HIS614 2.1 8.1 1.0
OD2 A:ASP612 2.7 10.2 1.0
CG A:ASP612 2.7 8.8 1.0
O02 E:5OL4 2.7 20.2 1.0
C08 E:5OL4 2.9 20.4 1.0
CE1 A:HIS614 3.0 8.9 1.0
CG A:ASP705 3.2 11.7 1.0
CG A:HIS614 3.2 10.3 1.0
OD1 A:ASP705 3.5 12.3 1.0
CB A:HIS614 3.6 11.7 1.0
N A:HIS614 3.9 8.6 1.0
C11 E:5OL4 3.9 18.0 1.0
C06 E:5OL4 3.9 19.2 1.0
N07 E:5OL4 3.9 19.9 1.0
NE2 A:HIS614 4.1 8.5 1.0
CB A:ASP612 4.2 6.9 1.0
OH A:TYR745 4.2 10.4 1.0
CA A:GLY743 4.3 5.6 1.0
NE2 A:HIS573 4.3 7.6 1.0
CG1 A:VAL613 4.3 10.6 1.0
CD2 A:HIS614 4.3 10.1 1.0
N A:VAL613 4.3 7.5 1.0
CA A:HIS614 4.4 9.6 1.0
CE2 A:TYR745 4.4 8.9 1.0
CB A:ASP705 4.4 10.4 1.0
CE1 A:HIS573 4.6 6.7 1.0
N A:GLY743 4.6 6.3 1.0
CZ A:TYR745 4.8 10.6 1.0
C A:ASP612 4.8 9.4 1.0
C A:VAL613 4.8 9.4 1.0
CA A:ASP612 4.9 7.7 1.0
CA A:VAL613 5.0 7.1 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: Wed Dec 16 06:09:45 2020

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