Chlorine in PDB 7um9: Human ALDH1A1 with Bound Compound CM38

All present enzymatic activity of Human ALDH1A1 with Bound Compound CM38:
1.2.1.36;

The structure of Human ALDH1A1 with Bound Compound CM38, PDB code: 7um9 was solved by T.D.Hurley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.79 / 1.80
Space group	P 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	109.108, 109.108, 83.077, 90, 90, 90
R / Rfree (%)	17.8 / 21.6

The structure of Human ALDH1A1 with Bound Compound CM38 also contains other interesting chemical elements:

Ytterbium

(Yb)

3 atoms

The binding sites of Chlorine atom in the Human ALDH1A1 with Bound Compound CM38 (pdb code 7um9). 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 Human ALDH1A1 with Bound Compound CM38, PDB code: 7um9:

Chlorine binding site 1 out of 1 in the Human ALDH1A1 with Bound Compound CM38


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human ALDH1A1 with Bound Compound CM38 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:21.0 occ:1.00 OG1 A:THR155 3.1 19.1 1.0 NE2 A:HIS157 3.1 19.4 1.0 CG A:ARG143 3.7 15.9 1.0 CB A:THR155 3.7 18.7 1.0 CG2 A:THR155 3.8 18.9 1.0 CE1 A:HIS157 4.0 19.0 1.0 CD2 A:HIS157 4.1 24.0 1.0 CB A:ARG143 4.2 16.6 1.0 CG1 A:VAL489 4.2 21.1 1.0 N A:ARG143 4.6 18.7 1.0 CD1 A:ILE145 5.0 14.8 1.0

T.D.Hurley, T.D.Hurley. N/A N/A.