Fluorine in PDB 8i7l: Crystal Structure of Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with A Novel Inhibitor

All present enzymatic activity of Crystal Structure of Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with A Novel Inhibitor:
1.13.11.52;

The structure of Crystal Structure of Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with A Novel Inhibitor, PDB code: 8i7l was solved by K.Li, W.Liu, X.Dong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.56 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.11, 97.11, 128.45, 90, 90, 90
R / Rfree (%)	27 / 29.3

The structure of Crystal Structure of Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with A Novel Inhibitor also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with A Novel Inhibitor (pdb code 8i7l). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with A Novel Inhibitor, PDB code: 8i7l:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with A Novel Inhibitor


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 Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with A Novel Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:86.1 occ:1.00 F1 A:OIH502 0.0 86.1 1.0 C24 A:OIH502 1.4 87.2 1.0 C23 A:OIH502 2.4 87.6 1.0 C25 A:OIH502 2.4 88.9 1.0 N4 A:OIH502 2.8 85.0 1.0 CG2 A:VAL130 3.1 84.9 1.0 CE2 A:PHE163 3.1 75.6 1.0 CD1 A:PHE164 3.5 85.4 1.0 CD2 A:PHE163 3.5 78.2 1.0 C28 A:OIH502 3.6 90.5 1.0 C26 A:OIH502 3.7 89.0 1.0 OG A:SER167 3.8 56.9 1.0 C22 A:OIH502 3.8 82.8 1.0 CE1 A:PHE164 3.9 85.3 1.0 CZ A:PHE163 4.0 75.2 1.0 CB A:SER167 4.1 65.2 1.0 C27 A:OIH502 4.1 89.8 1.0 O A:PHE163 4.2 83.8 1.0 O3 A:OIH502 4.2 82.3 1.0 CE1 A:TYR126 4.3 89.2 1.0 CD1 A:TYR126 4.4 89.7 1.0 CA A:PHE164 4.5 84.1 1.0 CB A:VAL130 4.6 85.0 1.0 CG A:PHE163 4.6 80.0 1.0 CG A:PHE164 4.7 85.7 1.0 C A:PHE163 4.7 84.2 1.0 N3 A:OIH502 4.8 82.4 1.0 N A:PHE164 4.9 85.0 1.0 CL1 A:OIH502 5.0 89.0 1.0 CE1 A:PHE163 5.0 76.0 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with A Novel Inhibitor


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 Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with A Novel Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:99.3 occ:1.00 F1 B:OIH501 0.0 99.3 1.0 C24 B:OIH501 1.4 97.9 1.0 C23 B:OIH501 2.4 95.7 1.0 C25 B:OIH501 2.4 97.4 1.0 N4 B:OIH501 2.8 96.5 1.0 CE2 B:PHE163 3.0 72.8 1.0 CG2 B:VAL130 3.1 59.8 1.0 CD2 B:PHE163 3.4 74.6 1.0 OG B:SER167 3.5 70.4 1.0 CD1 B:PHE164 3.6 88.9 1.0 C28 B:OIH501 3.7 95.9 1.0 C26 B:OIH501 3.7 97.4 1.0 CZ B:PHE163 3.8 72.6 1.0 CB B:SER167 3.9 70.4 1.0 C22 B:OIH501 3.9 96.5 1.0 CE1 B:PHE164 3.9 89.3 1.0 O B:PHE163 4.0 80.3 1.0 C27 B:OIH501 4.2 96.5 1.0 O3 B:OIH501 4.3 96.5 1.0 CE1 B:TYR126 4.4 72.6 1.0 CA B:PHE164 4.4 79.9 1.0 CD1 B:TYR126 4.4 73.0 1.0 CG B:PHE163 4.5 77.6 1.0 C B:PHE163 4.6 81.6 1.0 CB B:VAL130 4.6 72.5 1.0 CG B:PHE164 4.7 87.8 1.0 N B:PHE164 4.8 81.8 1.0 CE1 B:PHE163 4.8 74.5 1.0 N3 B:OIH501 4.9 97.3 1.0 CL1 B:OIH501 5.0 98.5 1.0

K.Li, W.Liu, X.Dong. Apo-Form Selective Inhibition of Ido For Tumor Immunotherapy Journal of Immunology V. 209 180 2022.
ISSN: ISSN 00221767
DOI: 10.4049/JIMMUNOL.2100938