Chlorine in PDB 6dpr: Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1

All present enzymatic activity of Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1:
1.13.11.52;

The structure of Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1, PDB code: 6dpr was solved by K.N.Pham, S.R.Yeh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.50 / 3.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.534, 97.234, 128.289, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.2

The structure of Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1 also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Iron	(Fe)	1 atom

The binding sites of Chlorine atom in the Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1 (pdb code 6dpr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1, PDB code: 6dpr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:0.3 occ:1.00 CL A:H7P502 0.0 0.3 1.0 C21 A:H7P502 1.8 0.7 1.0 C20 A:H7P502 2.7 0.3 1.0 C22 A:H7P502 2.8 0.6 1.0 O B:HOH620 3.6 72.6 1.0 C19 A:H7P502 4.1 0.6 1.0 C23 A:H7P502 4.1 0.6 1.0 CD1 A:TRP237 4.4 0.9 1.0 O A:HOH637 4.5 67.4 1.0 CB A:TRP237 4.6 96.9 1.0 CG A:TRP237 4.6 96.0 1.0 C18 A:H7P502 4.6 0.1 1.0

Chlorine binding site 2 out of 2 in the Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:0.7 occ:1.00 CL B:H7P501 0.0 0.7 1.0 C21 B:H7P501 1.8 0.1 1.0 C20 B:H7P501 2.7 99.2 1.0 C22 B:H7P501 2.8 92.8 1.0 CD2 B:LEU234 3.5 73.1 1.0 SG B:CYS129 3.6 64.0 1.0 CA B:GLY262 3.9 75.0 1.0 C19 B:H7P501 4.0 95.5 1.0 C23 B:H7P501 4.1 87.0 1.0 CA B:TYR126 4.1 65.5 1.0 C B:GLY262 4.1 74.3 1.0 N B:TYR126 4.2 69.9 1.0 CD1 B:LEU234 4.2 67.9 1.0 N B:SER263 4.4 79.6 1.0 CG B:LEU234 4.5 68.7 1.0 C B:VAL125 4.6 72.2 1.0 CB B:TYR126 4.6 63.6 1.0 C18 B:H7P501 4.6 90.4 1.0 O B:GLY262 4.6 69.0 1.0 CD2 B:TYR126 4.7 58.0 1.0 OE1 B:GLN266 4.8 62.7 1.0 O B:VAL125 4.8 71.9 1.0 CE1 B:PHE164 5.0 55.6 1.0 N B:GLY262 5.0 81.4 1.0

K.N.Pham, S.R.Yeh. Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1. J. Am. Chem. Soc. V. 140 14538 2018.
ISSN: ESSN 1520-5126
PubMed: 30347977
DOI: 10.1021/JACS.8B07994