Chlorine 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:

Fluorine

(F)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with A Novel Inhibitor, PDB code: 8i7l:
Jump to Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl502 b:89.0 occ:1.00 CL1 A:OIH502 0.0 89.0 1.0 C26 A:OIH502 1.5 89.0 1.0 C27 A:OIH502 2.5 89.8 1.0 C25 A:OIH502 2.6 88.9 1.0 SG A:CYS129 3.5 81.2 1.0 CA A:GLY262 3.6 112.4 1.0 CD2 A:LEU234 3.6 73.3 1.0 C28 A:OIH502 3.8 90.5 1.0 C24 A:OIH502 3.8 87.2 1.0 CD1 A:LEU234 4.1 71.8 1.0 CG A:LEU234 4.2 75.1 1.0 N A:GLY262 4.3 114.5 1.0 C23 A:OIH502 4.3 87.6 1.0 N A:TYR126 4.4 102.1 1.0 CB A:LEU234 4.4 80.2 1.0 C A:VAL125 4.4 107.8 1.0 C A:GLY262 4.5 109.9 1.0 CA A:TYR126 4.5 97.7 1.0 O A:VAL125 4.5 107.7 1.0 OE1 A:GLN266 4.6 102.3 1.0 O A:LEU124 4.6 102.6 1.0 CA A:VAL125 4.9 107.9 1.0 F1 A:OIH502 5.0 86.1 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl501 b:98.5 occ:1.00 CL1 B:OIH501 0.0 98.5 1.0 C26 B:OIH501 1.5 97.4 1.0 C25 B:OIH501 2.5 97.4 1.0 C27 B:OIH501 2.5 96.5 1.0 SG B:CYS129 3.5 61.6 1.0 CA B:GLY262 3.5 96.3 1.0 C28 B:OIH501 3.8 95.9 1.0 C24 B:OIH501 3.8 97.9 1.0 CD2 B:LEU234 3.9 95.6 1.0 N B:TYR126 4.1 80.1 1.0 C B:VAL125 4.2 79.4 1.0 N B:GLY262 4.2 101.0 1.0 CA B:TYR126 4.3 80.8 1.0 C23 B:OIH501 4.3 95.7 1.0 C B:GLY262 4.4 92.0 1.0 OE1 B:GLN266 4.4 107.3 1.0 CD1 B:LEU234 4.5 92.6 1.0 O B:VAL125 4.5 80.1 1.0 O B:LEU124 4.6 81.3 1.0 CG B:LEU234 4.6 93.4 1.0 CA B:VAL125 4.7 77.6 1.0 CB B:LEU234 4.9 91.2 1.0 CB B:TYR126 4.9 76.8 1.0 N B:SER263 5.0 89.4 1.0 F1 B:OIH501 5.0 99.3 1.0 N B:VAL125 5.0 78.2 1.0 O B:GLY262 5.0 90.5 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