Fluorine in PDB 8d9a: Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8
Protein crystallography data
The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8, PDB code: 8d9a
was solved by
P.R.Watson,
D.W.Christianson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 66.51 / 1.75 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 75.035, 92.044, 96.2, 90, 90, 90 |
| R / Rfree (%) | 18.3 / 21.7 |
Other elements in 8d9a:
The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8 also contains other interesting chemical elements:
| Zinc | (Zn) | 2 atoms |
| Potassium | (K) | 4 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8
(pdb code 8d9a). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8, PDB code: 8d9a:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8, PDB code: 8d9a:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 8d9a
Go back to
Fluorine Binding Sites List in 8d9a
Fluorine binding site 1 out
of 6 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8 within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 8d9a
Go back to
Fluorine Binding Sites List in 8d9a
Fluorine binding site 2 out
of 6 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8 within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 8d9a
Go back to
Fluorine Binding Sites List in 8d9a
Fluorine binding site 3 out
of 6 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8 within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 8d9a
Go back to
Fluorine Binding Sites List in 8d9a
Fluorine binding site 4 out
of 6 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8 within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 8d9a
Go back to
Fluorine Binding Sites List in 8d9a
Fluorine binding site 5 out
of 6 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8 within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 8d9a
Go back to
Fluorine Binding Sites List in 8d9a
Fluorine binding site 6 out
of 6 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 8 within 5.0Å range:
|
Reference:
P.R.Watson,
P.Bai,
C.Wang,
A.D.Cragin,
J.M.Hooker,
D.W.Christianson.
Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6. Biochemistry V. 61 1945 2022.
ISSN: ISSN 0006-2960
PubMed: 36073962
DOI: 10.1021/ACS.BIOCHEM.2C00332
Page generated: Fri Aug 2 17:26:05 2024
ISSN: ISSN 0006-2960
PubMed: 36073962
DOI: 10.1021/ACS.BIOCHEM.2C00332
Last articles
Zn in 9JYWZn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
