Fluorine in PDB 7jom: Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317, PDB code: 7jom 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)	59.43 / 1.84
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.46, 96.45, 96.45, 90, 90, 90
R / Rfree (%)	16.8 / 20.7

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317 also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Potassium	(K)	5 atoms

The binding sites of Fluorine atom in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317 (pdb code 7jom). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317, PDB code: 7jom:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317


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 to-317 within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:24.1 occ:1.00 F23 A:TO3901 0.0 24.1 1.0 C22 A:TO3901 1.3 22.7 1.0 C24 A:TO3901 2.3 26.6 1.0 C21 A:TO3901 2.4 25.0 1.0 F25 A:TO3901 2.6 34.9 1.0 C20 A:TO3901 3.6 21.6 1.0 C26 A:TO3901 3.6 26.8 1.0 C28 A:TO3901 4.1 23.2 1.0 F27 A:TO3901 4.7 25.0 1.0

Fluorine binding site 2 out of 8 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317


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 to-317 within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:34.9 occ:1.00 F25 A:TO3901 0.0 34.9 1.0 C24 A:TO3901 1.3 26.6 1.0 C22 A:TO3901 2.3 22.7 1.0 C26 A:TO3901 2.3 26.8 1.0 F23 A:TO3901 2.6 24.1 1.0 F27 A:TO3901 2.7 25.0 1.0 C21 A:TO3901 3.5 25.0 1.0 C28 A:TO3901 3.5 23.2 1.0 C20 A:TO3901 4.0 21.6 1.0 F29 A:TO3901 4.6 27.1 1.0 O A:HOH1163 4.7 19.4 1.0

Fluorine binding site 3 out of 8 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317


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 to-317 within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:25.0 occ:1.00 F27 A:TO3901 0.0 25.0 1.0 C26 A:TO3901 1.3 26.8 1.0 C28 A:TO3901 2.3 23.2 1.0 C24 A:TO3901 2.4 26.6 1.0 F29 A:TO3901 2.7 27.1 1.0 F25 A:TO3901 2.7 34.9 1.0 C20 A:TO3901 3.6 21.6 1.0 C22 A:TO3901 3.6 22.7 1.0 O A:HOH1163 3.6 19.4 1.0 OG A:SER531 3.8 18.4 1.0 O1 A:FMT906 3.9 30.7 1.0 C21 A:TO3901 4.1 25.0 1.0 C A:FMT906 4.2 28.0 1.0 CA A:SER531 4.3 11.3 1.0 CB A:SER531 4.4 13.5 1.0 O2 A:FMT906 4.4 35.3 1.0 O A:HOH1169 4.5 28.9 1.0 F23 A:TO3901 4.7 24.1 1.0 N A:SER531 4.8 11.6 1.0

Fluorine binding site 4 out of 8 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317


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 to-317 within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:27.1 occ:1.00 F29 A:TO3901 0.0 27.1 1.0 C28 A:TO3901 1.3 23.2 1.0 C20 A:TO3901 2.3 21.6 1.0 C26 A:TO3901 2.3 26.8 1.0 F27 A:TO3901 2.7 25.0 1.0 O19 A:TO3901 2.8 13.7 1.0 S18 A:TO3901 2.9 14.9 1.0 C09 A:TO3901 3.1 12.7 1.0 O1 A:FMT906 3.3 30.7 1.0 OG A:SER531 3.3 18.4 1.0 N10 A:TO3901 3.4 13.1 1.0 C24 A:TO3901 3.6 26.6 1.0 C21 A:TO3901 3.6 25.0 1.0 CB A:SER531 3.7 13.5 1.0 C22 A:TO3901 4.1 22.7 1.0 O30 A:TO3901 4.1 14.8 1.0 C A:FMT906 4.1 28.0 1.0 O A:HOH1169 4.1 28.9 1.0 CE1 A:PHE583 4.2 12.2 1.0 CZ A:PHE583 4.3 11.0 1.0 CA A:SER531 4.3 11.3 1.0 C08 A:TO3901 4.3 10.5 1.0 C11 A:TO3901 4.4 13.3 1.0 F25 A:TO3901 4.6 34.9 1.0

Fluorine binding site 5 out of 8 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317


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 to-317 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:28.2 occ:1.00 F23 B:TO3801 0.0 28.2 1.0 C22 B:TO3801 1.4 33.3 1.0 C24 B:TO3801 2.4 33.2 1.0 C21 B:TO3801 2.4 28.2 1.0 F25 B:TO3801 2.7 35.9 1.0 C20 B:TO3801 3.6 23.5 1.0 C26 B:TO3801 3.6 26.4 1.0 C28 B:TO3801 4.2 21.7 1.0 F27 B:TO3801 4.7 30.0 1.0 O19 B:TO3801 5.0 16.7 1.0

Fluorine binding site 6 out of 8 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317


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 to-317 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:35.9 occ:1.00 F25 B:TO3801 0.0 35.9 1.0 C24 B:TO3801 1.3 33.2 1.0 C26 B:TO3801 2.3 26.4 1.0 C22 B:TO3801 2.3 33.3 1.0 F27 B:TO3801 2.6 30.0 1.0 F23 B:TO3801 2.7 28.2 1.0 C21 B:TO3801 3.5 28.2 1.0 C28 B:TO3801 3.5 21.7 1.0 C20 B:TO3801 3.9 23.5 1.0 F29 B:TO3801 4.6 19.3 1.0 O B:HOH1059 4.8 17.1 1.0

Fluorine binding site 7 out of 8 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317


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 to-317 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:30.0 occ:1.00 F27 B:TO3801 0.0 30.0 1.0 C26 B:TO3801 1.3 26.4 1.0 C28 B:TO3801 2.3 21.7 1.0 C24 B:TO3801 2.3 33.2 1.0 F25 B:TO3801 2.6 35.9 1.0 F29 B:TO3801 2.6 19.3 1.0 C20 B:TO3801 3.5 23.5 1.0 C22 B:TO3801 3.5 33.3 1.0 O B:HOH1059 3.8 17.1 1.0 OG B:SER531 3.9 13.8 1.0 C21 B:TO3801 4.0 28.2 1.0 O B:HOH1068 4.4 23.8 1.0 CA B:SER531 4.5 11.5 1.0 CB B:SER531 4.5 11.4 1.0 F23 B:TO3801 4.7 28.2 1.0 S18 B:TO3801 4.9 16.5 1.0

Fluorine binding site 8 out of 8 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317


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 to-317 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:19.3 occ:1.00 F29 B:TO3801 0.0 19.3 1.0 C28 B:TO3801 1.3 21.7 1.0 C26 B:TO3801 2.3 26.4 1.0 C20 B:TO3801 2.3 23.5 1.0 F27 B:TO3801 2.6 30.0 1.0 O30 B:TO3801 2.9 14.2 1.0 S18 B:TO3801 2.9 16.5 1.0 C09 B:TO3801 3.2 12.4 1.0 OG B:SER531 3.4 13.8 1.0 N10 B:TO3801 3.4 11.5 1.0 C24 B:TO3801 3.6 33.2 1.0 C21 B:TO3801 3.6 28.2 1.0 CB B:SER531 3.7 11.4 1.0 O B:HOH1068 4.0 23.8 1.0 C22 B:TO3801 4.1 33.3 1.0 O19 B:TO3801 4.1 16.7 1.0 CE1 B:PHE583 4.2 13.1 1.0 CA B:SER531 4.3 11.5 1.0 CZ B:PHE583 4.4 8.8 1.0 C08 B:TO3801 4.4 10.3 1.0 C11 B:TO3801 4.5 15.4 1.0 F25 B:TO3801 4.6 35.9 1.0

P.R.Watson, D.W.Christianson. Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 Complexed with to-317 To Be Published.