Fluorine in PDB 8g89: HSD17B13 in Complex with Cofactor and Inhibitor

The structure of HSD17B13 in Complex with Cofactor and Inhibitor, PDB code: 8g89 was solved by S.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.16 / 2.22
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.03, 186.46, 65.47, 90, 90, 90
R / Rfree (%)	20.9 / 22.8

The binding sites of Fluorine atom in the HSD17B13 in Complex with Cofactor and Inhibitor (pdb code 8g89). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the HSD17B13 in Complex with Cofactor and Inhibitor, PDB code: 8g89:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the HSD17B13 in Complex with Cofactor and Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of HSD17B13 in Complex with Cofactor and Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:82.6 occ:1.00 F7 A:YXW402 0.0 82.6 1.0 C4 A:YXW402 1.4 82.2 1.0 C3 A:YXW402 2.3 81.5 1.0 C5 A:YXW402 2.4 82.2 1.0 O8 A:YXW402 2.6 80.7 1.0 H32 A:YXW402 2.6 97.0 0.0 CE2 A:TYR181 3.5 53.1 1.0 C6 A:YXW402 3.6 82.1 1.0 C2 A:YXW402 3.6 81.6 1.0 C9 A:YXW402 4.0 79.9 1.0 H36 A:YXW402 4.0 85.2 0.0 CD2 A:TYR181 4.0 51.9 1.0 C1 A:YXW402 4.1 81.9 1.0 H11 A:YXW402 4.4 82.0 0.0 H34 A:YXW402 4.5 82.8 0.0 H33 A:YXW402 4.5 96.9 0.0 CZ A:TYR181 4.5 54.7 1.0 H31 A:YXW402 4.5 88.5 0.0 OD1 A:ASN286 4.6 140.7 1.0 H35 A:YXW402 4.6 84.3 0.0 C10 A:YXW402 4.7 78.8 1.0 OH A:TYR181 4.7 56.6 1.0 C12 A:YXW402 4.8 78.4 1.0

Fluorine binding site 2 out of 2 in the HSD17B13 in Complex with Cofactor and Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of HSD17B13 in Complex with Cofactor and Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:70.6 occ:1.00 F29 A:YXW402 0.0 70.6 1.0 C24 A:YXW402 1.4 70.8 1.0 C25 A:YXW402 2.3 70.5 1.0 C23 A:YXW402 2.3 71.7 1.0 H48 A:YXW402 2.6 69.9 0.0 O28 A:YXW402 2.7 70.2 1.0 OG A:SER172 3.1 45.0 1.0 CG2 A:VAL173 3.5 43.1 1.0 H51 A:YXW402 3.5 61.2 0.0 C26 A:YXW402 3.6 70.8 1.0 C22 A:YXW402 3.6 72.4 1.0 SG A:CYS174 3.7 49.1 1.0 O A:PRO218 3.8 45.4 1.0 C A:VAL219 3.9 50.7 1.0 CA A:VAL219 4.0 48.7 1.0 N A:PHE220 4.1 52.2 1.0 C27 A:YXW402 4.1 71.7 1.0 C4N A:NAD401 4.1 41.3 1.0 O A:VAL219 4.1 50.6 1.0 C5N A:NAD401 4.3 41.0 1.0 CD1 A:ILE179 4.4 51.0 1.0 N A:VAL173 4.4 42.9 1.0 N A:CYS174 4.4 44.7 1.0 H49 A:YXW402 4.5 62.8 0.0 CB A:SER172 4.5 43.1 1.0 CB A:CYS174 4.7 45.7 1.0 CA A:PHE220 4.7 54.4 1.0 C A:PRO218 4.7 46.1 1.0 CZ3 A:TRP234 4.7 98.2 1.0 CB A:VAL173 4.7 43.6 1.0 C20 A:YXW402 4.8 73.3 1.0 N A:VAL219 4.9 47.2 1.0 O21 A:YXW402 4.9 73.3 1.0 CA A:VAL173 4.9 43.5 1.0

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