Fluorine in PDB 8d9c: Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10
Protein crystallography data
The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10, PDB code: 8d9c
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) | 66.61 / 1.82 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 75.023, 92.02, 96.545, 90, 90, 90 |
| R / Rfree (%) | 17.8 / 21.5 |
Other elements in 8d9c:
The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10 also contains other interesting chemical elements:
| Potassium | (K) | 4 atoms |
| Zinc | (Zn) | 2 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 10
(pdb code 8d9c). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10, PDB code: 8d9c:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;
In total 10 binding sites of Fluorine where determined in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10, PDB code: 8d9c:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;
Fluorine binding site 1 out of 10 in 8d9c
Go back to
Fluorine Binding Sites List in 8d9c
Fluorine binding site 1 out
of 10 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10
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 10 within 5.0Å range:
|
Fluorine binding site 2 out of 10 in 8d9c
Go back to
Fluorine Binding Sites List in 8d9c
Fluorine binding site 2 out
of 10 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10
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 10 within 5.0Å range:
|
Fluorine binding site 3 out of 10 in 8d9c
Go back to
Fluorine Binding Sites List in 8d9c
Fluorine binding site 3 out
of 10 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10
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 10 within 5.0Å range:
|
Fluorine binding site 4 out of 10 in 8d9c
Go back to
Fluorine Binding Sites List in 8d9c
Fluorine binding site 4 out
of 10 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10
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 10 within 5.0Å range:
|
Fluorine binding site 5 out of 10 in 8d9c
Go back to
Fluorine Binding Sites List in 8d9c
Fluorine binding site 5 out
of 10 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10
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 10 within 5.0Å range:
|
Fluorine binding site 6 out of 10 in 8d9c
Go back to
Fluorine Binding Sites List in 8d9c
Fluorine binding site 6 out
of 10 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10
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 10 within 5.0Å range:
|
Fluorine binding site 7 out of 10 in 8d9c
Go back to
Fluorine Binding Sites List in 8d9c
Fluorine binding site 7 out
of 10 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10
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 7 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10 within 5.0Å range:
|
Fluorine binding site 8 out of 10 in 8d9c
Go back to
Fluorine Binding Sites List in 8d9c
Fluorine binding site 8 out
of 10 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10
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 8 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10 within 5.0Å range:
|
Fluorine binding site 9 out of 10 in 8d9c
Go back to
Fluorine Binding Sites List in 8d9c
Fluorine binding site 9 out
of 10 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10
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 9 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10 within 5.0Å range:
|
Fluorine binding site 10 out of 10 in 8d9c
Go back to
Fluorine Binding Sites List in 8d9c
Fluorine binding site 10 out
of 10 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10
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 10 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with Fluorinated Inhibitor 10 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 17:26:08 2024
ISSN: ISSN 0006-2960
PubMed: 36073962
DOI: 10.1021/ACS.BIOCHEM.2C00332
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