Fluorine in PDB 8g93: Crystal Structures of 17-Beta-Hydroxysteroid Dehydrogenase 13

The structure of Crystal Structures of 17-Beta-Hydroxysteroid Dehydrogenase 13, PDB code: 8g93 was solved by S.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.09 / 1.91
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.73, 186.32, 65.32, 90, 90, 90
R / Rfree (%)	20 / 22.4

The binding sites of Fluorine atom in the Crystal Structures of 17-Beta-Hydroxysteroid Dehydrogenase 13 (pdb code 8g93). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structures of 17-Beta-Hydroxysteroid Dehydrogenase 13, PDB code: 8g93:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structures of 17-Beta-Hydroxysteroid Dehydrogenase 13


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structures of 17-Beta-Hydroxysteroid Dehydrogenase 13 within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:50.9 occ:1.00 F7 A:YXW402 0.0 50.9 1.0 C4 A:YXW402 1.3 54.8 1.0 C5 A:YXW402 2.4 60.8 1.0 C3 A:YXW402 2.4 53.0 1.0 H32 A:YXW402 2.6 60.9 0.0 O8 A:YXW402 2.7 50.8 1.0 CE2 A:TYR181 3.6 39.2 1.0 C6 A:YXW402 3.6 60.7 1.0 C2 A:YXW402 3.6 54.0 1.0 CD2 A:TYR181 4.0 37.7 1.0 H36 A:YXW402 4.1 54.5 0.0 C9 A:YXW402 4.1 51.3 1.0 C1 A:YXW402 4.1 57.3 1.0 H33 A:YXW402 4.5 60.7 0.0 H34 A:YXW402 4.5 50.5 0.0 CZ A:TYR181 4.5 50.7 1.0 H31 A:YXW402 4.5 54.0 0.0 H35 A:YXW402 4.6 52.2 0.0 H11 A:YXW402 4.6 50.9 0.0 C10 A:YXW402 4.8 50.9 1.0 OH A:TYR181 4.8 58.8 1.0 C12 A:YXW402 4.9 53.9 1.0

Fluorine binding site 2 out of 4 in the Crystal Structures of 17-Beta-Hydroxysteroid Dehydrogenase 13


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structures of 17-Beta-Hydroxysteroid Dehydrogenase 13 within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:34.6 occ:1.00 F29 A:YXW402 0.0 34.6 1.0 C24 A:YXW402 1.3 39.2 1.0 C23 A:YXW402 2.3 46.6 1.0 C25 A:YXW402 2.4 39.1 1.0 H48 A:YXW402 2.5 46.7 0.0 O28 A:YXW402 2.8 37.0 1.0 OG A:SER172 2.9 30.0 1.0 O A:PRO218 3.6 27.3 1.0 C22 A:YXW402 3.6 43.7 1.0 C26 A:YXW402 3.6 40.9 1.0 C A:VAL219 3.6 29.1 1.0 SG A:CYS174 3.7 32.0 1.0 CG2 A:VAL173 3.7 27.3 1.0 C4N A:NAD401 3.8 23.3 1.0 N A:PHE220 3.9 26.9 1.0 O A:VAL219 3.9 26.5 1.0 CA A:VAL219 3.9 26.1 1.0 C5N A:NAD401 3.9 24.8 1.0 C27 A:YXW402 4.1 43.7 1.0 CB A:SER172 4.3 25.2 1.0 N A:VAL173 4.4 22.3 1.0 CA A:PHE220 4.5 26.5 1.0 C A:PRO218 4.5 29.1 1.0 H49 A:YXW402 4.5 40.9 0.0 N A:CYS174 4.6 26.0 1.0 N A:VAL219 4.7 26.8 1.0 CB A:CYS174 4.7 27.1 1.0 C20 A:YXW402 4.8 42.4 1.0 C3N A:NAD401 4.8 27.1 1.0 O7N A:NAD401 4.9 31.5 1.0 O21 A:YXW402 4.9 40.6 1.0 CB A:VAL173 4.9 27.7 1.0

Fluorine binding site 3 out of 4 in the Crystal Structures of 17-Beta-Hydroxysteroid Dehydrogenase 13


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structures of 17-Beta-Hydroxysteroid Dehydrogenase 13 within 5.0Å range: probe atom residue distance (Å) B Occ B:F402 b:47.2 occ:1.00 F7 B:YXW402 0.0 47.2 1.0 C4 B:YXW402 1.3 40.0 1.0 C3 B:YXW402 2.4 36.4 1.0 C5 B:YXW402 2.4 34.1 1.0 H32 B:YXW402 2.6 34.0 0.0 O8 B:YXW402 2.6 34.3 1.0 CE2 B:TYR181 3.3 38.9 1.0 C2 B:YXW402 3.6 34.1 1.0 C6 B:YXW402 3.6 34.0 1.0 CD2 B:TYR181 3.8 37.6 1.0 C9 B:YXW402 4.0 34.2 1.0 H36 B:YXW402 4.1 34.1 0.0 C1 B:YXW402 4.1 34.0 1.0 CZ B:TYR181 4.2 50.3 1.0 OH B:TYR181 4.4 52.9 1.0 H35 B:YXW402 4.4 34.3 0.0 H11 B:YXW402 4.5 34.3 0.0 H33 B:YXW402 4.5 34.0 0.0 H31 B:YXW402 4.5 34.1 0.0 H34 B:YXW402 4.6 34.1 0.0 C10 B:YXW402 4.7 34.3 1.0 C12 B:YXW402 4.9 34.0 1.0 CG B:TYR181 5.0 35.8 1.0

Fluorine binding site 4 out of 4 in the Crystal Structures of 17-Beta-Hydroxysteroid Dehydrogenase 13


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structures of 17-Beta-Hydroxysteroid Dehydrogenase 13 within 5.0Å range: probe atom residue distance (Å) B Occ B:F402 b:39.5 occ:1.00 F29 B:YXW402 0.0 39.5 1.0 C24 B:YXW402 1.3 35.9 1.0 C23 B:YXW402 2.3 34.2 1.0 C25 B:YXW402 2.4 34.2 1.0 H48 B:YXW402 2.6 34.2 0.0 O28 B:YXW402 2.8 32.1 1.0 OG B:SER172 3.0 25.6 1.0 C B:VAL219 3.5 38.2 1.0 C26 B:YXW402 3.6 34.5 1.0 C22 B:YXW402 3.6 34.2 1.0 O B:PRO218 3.6 31.3 1.0 C4N B:NAD401 3.7 28.3 1.0 N B:PHE220 3.7 34.5 1.0 O B:VAL219 3.8 39.5 1.0 SG B:CYS174 3.8 29.7 1.0 C5N B:NAD401 3.9 27.4 1.0 CG2 B:VAL173 3.9 27.0 1.0 CA B:VAL219 3.9 32.1 1.0 C27 B:YXW402 4.1 34.4 1.0 CA B:PHE220 4.2 33.3 1.0 CB B:SER172 4.4 22.6 1.0 C B:PRO218 4.5 32.9 1.0 N B:VAL173 4.5 23.2 1.0 H49 B:YXW402 4.5 34.5 0.0 N B:VAL219 4.7 32.3 1.0 O7N B:NAD401 4.7 29.5 1.0 C3N B:NAD401 4.7 29.8 1.0 N B:CYS174 4.7 25.4 1.0 CB B:CYS174 4.8 25.9 1.0 C20 B:YXW402 4.8 34.6 1.0 O21 B:YXW402 5.0 37.2 1.0 C6N B:NAD401 5.0 23.7 1.0

S.Liu, S.Liu. N/A N/A.