Chlorine in PDB 7a62: Structure of Human Indoleamine-2,3-Dioxygenase 1 (HIDO1) with A Complete Jk Loop

All present enzymatic activity of Structure of Human Indoleamine-2,3-Dioxygenase 1 (HIDO1) with A Complete Jk Loop:
1.13.11.52;

The structure of Structure of Human Indoleamine-2,3-Dioxygenase 1 (HIDO1) with A Complete Jk Loop, PDB code: 7a62 was solved by M.Mirgaux, J.Wouters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.18 / 2.44
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.960, 117.950, 216.410, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 25.7

The structure of Structure of Human Indoleamine-2,3-Dioxygenase 1 (HIDO1) with A Complete Jk Loop also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Structure of Human Indoleamine-2,3-Dioxygenase 1 (HIDO1) with A Complete Jk Loop (pdb code 7a62). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Human Indoleamine-2,3-Dioxygenase 1 (HIDO1) with A Complete Jk Loop, PDB code: 7a62:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Human Indoleamine-2,3-Dioxygenase 1 (HIDO1) with A Complete Jk Loop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Indoleamine-2,3-Dioxygenase 1 (HIDO1) with A Complete Jk Loop within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:43.1 occ:1.00 O C:HOH735 3.0 36.3 1.0 CA C:GLY53 3.5 33.3 1.0 C C:GLY53 3.8 34.0 1.0 O C:GLY53 4.1 39.2 1.0 O C:ILE50 4.2 34.3 1.0 N C:LEU55 4.2 35.3 1.0 CD C:ARG56 4.3 31.7 1.0 N C:GLN54 4.4 32.8 1.0 CB C:LEU55 4.4 29.2 1.0 N C:ARG56 4.4 24.3 1.0 N C:GLY53 4.5 37.2 1.0 CE C:LYS94 4.5 35.4 1.0 CG C:LYS94 4.5 35.9 1.0 O C:LEU49 4.6 36.2 1.0 CA C:ILE50 4.6 33.7 1.0 CG C:ARG56 4.7 25.8 1.0 CD C:LYS94 4.7 36.5 1.0 O C:HOH656 4.7 32.4 1.0 CA C:LEU55 4.8 29.7 1.0 C C:ILE50 4.8 32.9 1.0 CA C:GLY93 4.9 30.5 1.0 CB C:ARG56 4.9 24.6 1.0 N C:LYS94 4.9 38.4 1.0 NE C:ARG56 5.0 33.5 1.0 C C:GLY93 5.0 35.9 1.0

Chlorine binding site 2 out of 2 in the Structure of Human Indoleamine-2,3-Dioxygenase 1 (HIDO1) with A Complete Jk Loop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human Indoleamine-2,3-Dioxygenase 1 (HIDO1) with A Complete Jk Loop within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl502 b:43.0 occ:1.00 O D:HOH732 3.2 37.1 1.0 CA D:GLY53 3.6 29.6 1.0 C D:GLY53 3.8 31.0 1.0 O D:GLY53 3.9 37.0 1.0 N D:LEU55 4.2 29.3 1.0 CD D:ARG56 4.3 28.2 1.0 O D:ILE50 4.3 30.6 1.0 N D:GLN54 4.4 26.0 1.0 N D:ARG56 4.4 27.9 1.0 CB D:LEU55 4.5 25.7 1.0 CE D:LYS94 4.5 32.7 1.0 CG D:LYS94 4.6 35.9 1.0 CG D:ARG56 4.6 22.9 1.0 N D:GLY53 4.6 29.7 1.0 CA D:ILE50 4.7 26.4 1.0 O D:LEU49 4.7 33.0 1.0 CD D:LYS94 4.7 32.2 1.0 CA D:LEU55 4.8 28.0 1.0 CB D:ARG56 4.9 22.4 1.0 NE D:ARG56 4.9 31.9 1.0 CA D:GLY93 4.9 28.8 1.0 C D:ILE50 4.9 28.1 1.0 N D:LYS94 4.9 31.4 1.0

M.Mirgaux, L.Leherte, J.Wouters. Influence of the Presence of the Heme Cofactor on the Jk-Loop Structure in Indoleamine 2,3-Dioxygenase 1. Acta Crystallogr D Struct V. 76 1211 2020BIOL.
ISSN: ISSN 2059-7983
PubMed: 33263327
DOI: 10.1107/S2059798320013510