Chlorine in PDB 4qu8: Caspase-3 M61A V266H

All present enzymatic activity of Caspase-3 M61A V266H:
3.4.22.56;

The structure of Caspase-3 M61A V266H, PDB code: 4qu8 was solved by C.Cade, P.D.Swartz, S.H.Mackenzie, A.C.Clark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.96 / 1.72
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.648, 84.256, 96.054, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 19.1

The binding sites of Chlorine atom in the Caspase-3 M61A V266H (pdb code 4qu8). 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 Caspase-3 M61A V266H, PDB code: 4qu8:

Chlorine binding site 1 out of 1 in the Caspase-3 M61A V266H


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Caspase-3 M61A V266H within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:34.6 occ:1.00 N A:GLY66 3.0 23.4 1.0 NZ A:LYS53 3.1 34.3 1.0 N A:ASP68 3.3 25.4 1.0 CB A:ASP68 3.4 24.2 1.0 CE A:LYS53 3.5 35.6 1.0 CA A:GLY66 3.6 25.3 1.0 N A:THR67 3.6 21.9 1.0 CG A:ASP68 3.6 29.5 1.0 C A:GLY66 3.7 23.4 1.0 OD2 A:ASP68 3.7 28.7 1.0 CA A:ASP68 3.9 26.3 1.0 C A:SER65 4.0 23.7 1.0 CD A:LYS53 4.1 28.6 1.0 O A:HOH475 4.1 36.2 1.0 CA A:SER65 4.3 24.2 1.0 OD1 A:ASP68 4.3 28.8 1.0 C A:THR67 4.3 23.9 1.0 O A:GLY66 4.4 24.1 1.0 CA A:THR67 4.5 23.0 1.0 N A:VAL69 4.5 22.7 1.0 O A:ARG64 4.5 24.4 1.0 CG2 A:THR67 4.6 22.3 1.0 C A:ASP68 4.8 23.2 1.0

C.Cade, P.Swartz, S.H.Mackenzie, A.C.Clark. Modifying Caspase-3 Activity By Altering Allosteric Networks. Biochemistry 2014.
ISSN: ISSN 0006-2960
PubMed: 25343534
DOI: 10.1021/BI500874K