Chlorine in PDB 8dgz: Caspase-7 Bound to Substrate Mimic and Allosteric Inhibitor

All present enzymatic activity of Caspase-7 Bound to Substrate Mimic and Allosteric Inhibitor:
3.4.22.60;

The structure of Caspase-7 Bound to Substrate Mimic and Allosteric Inhibitor, PDB code: 8dgz was solved by J.Propp, A.Kalenkiewicz, F.H.Kathryn, M.A.Spies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.94 / 2.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.045, 89.045, 183.623, 90, 90, 120
R / Rfree (%)	23.3 / 25.4

The binding sites of Chlorine atom in the Caspase-7 Bound to Substrate Mimic and Allosteric Inhibitor (pdb code 8dgz). 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-7 Bound to Substrate Mimic and Allosteric Inhibitor, PDB code: 8dgz:

Chlorine binding site 1 out of 1 in the Caspase-7 Bound to Substrate Mimic and Allosteric Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Caspase-7 Bound to Substrate Mimic and Allosteric Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:128.9 occ:0.70 CLA B:8YJ401 0.0 128.9 0.7 CAM B:8YJ401 1.8 121.5 0.7 ND2 B:ASN148 2.7 123.6 1.0 CAL B:8YJ401 2.7 124.4 0.7 CAN B:8YJ401 2.8 117.0 0.7 CG B:ASN148 3.6 115.1 1.0 OD1 B:ASN148 3.9 116.9 1.0 CAK B:8YJ401 4.0 113.7 0.7 CAO B:8YJ401 4.1 111.4 0.7 CAJ B:8YJ401 4.5 110.1 0.7 CB A:PRO227 4.9 142.1 1.0 CB B:ASN148 4.9 102.8 1.0

K.F.Hobbs, J.Propp, N.R.Vance, A.Kalenkiewicz, K.R.Witkin, M.Ashley Spies. Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power. Chemistry 00872 2023.
ISSN: ISSN 0947-6539
PubMed: 37005499
DOI: 10.1002/CHEM.202300872