Chlorine in PDB 4wj9: Structure of Human Apo ALDH1A1

All present enzymatic activity of Structure of Human Apo ALDH1A1:
1.2.1.36;

The structure of Structure of Human Apo ALDH1A1, PDB code: 4wj9 was solved by C.A.Morgan, T.D.Hurley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	109.30 / 1.74
Space group	P 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	109.297, 109.297, 83.236, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21.6

The structure of Structure of Human Apo ALDH1A1 also contains other interesting chemical elements:

Ytterbium

(Yb)

1 atom

The binding sites of Chlorine atom in the Structure of Human Apo ALDH1A1 (pdb code 4wj9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Human Apo ALDH1A1, PDB code: 4wj9:

Chlorine binding site 1 out of 1 in the Structure of Human Apo ALDH1A1


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 Apo ALDH1A1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:22.3 occ:1.00 OG1 A:THR155 3.1 14.6 1.0 NE2 A:HIS157 3.1 18.9 1.0 CG A:ARG143 3.7 18.1 1.0 CB A:THR155 3.8 14.7 1.0 CG2 A:THR155 3.8 15.1 1.0 CE1 A:HIS157 4.0 18.9 1.0 CD2 A:HIS157 4.1 18.7 1.0 CB A:ARG143 4.2 16.7 1.0 CG1 A:VAL489 4.2 19.9 1.0 N A:ARG143 4.7 15.1 1.0 CG2 A:VAL489 4.9 20.8 1.0

C.A.Morgan, T.D.Hurley. Development of A High-Throughput in Vitro Assay to Identify Selective Inhibitors For Human ALDH1A1. Chem.Biol.Interact. 2014.
ISSN: ISSN 0009-2797
PubMed: 25450233
DOI: 10.1016/J.CBI.2014.10.028