Chlorine in PDB 3pd0: Caspase-3 E246A

All present enzymatic activity of Caspase-3 E246A:
3.4.22.56;

The structure of Caspase-3 E246A, PDB code: 3pd0 was solved by J.Walters, P.Swartz, C.Mattos, A.C.Clark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.51 / 2.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.613, 83.778, 96.228, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20.4

The binding sites of Chlorine atom in the Caspase-3 E246A (pdb code 3pd0). 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 E246A, PDB code: 3pd0:

Chlorine binding site 1 out of 1 in the Caspase-3 E246A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Caspase-3 E246A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl7 b:43.0 occ:1.00 O B:ASP5 2.1 33.4 1.0 O A:HOH487 2.7 65.3 1.0 C B:ASP5 3.1 27.0 1.0 O A:HOH346 3.4 29.0 1.0 SG A:CYS163 3.4 21.9 1.0 C1 B:0QE6 3.5 22.0 1.0 CE1 A:TYR204 3.7 22.6 1.0 CB A:CYS163 3.8 19.7 1.0 CD1 A:TYR204 3.8 21.4 1.0 O A:GLY122 4.2 21.6 1.0 CA B:ASP5 4.5 25.3 1.0 O A:HOH495 4.5 60.2 1.0 O A:HOH422 4.6 45.3 1.0 O A:GLY165 4.6 22.4 1.0 N B:ASP5 4.8 24.0 1.0 CG2 B:VAL4 4.8 22.4 1.0 ND1 A:HIS121 4.9 25.5 1.0 O B:HOH301 4.9 40.4 1.0

J.Walters, P.Swartz, C.Mattos, A.C.Clark. Thermodynamic, Enzymatic and Structural Effects of Removing A Salt Bridge at the Base of Loop 4 in (Pro)Caspase-3. Arch.Biochem.Biophys. V. 508 31 2011.
ISSN: ISSN 0003-9861
PubMed: 21266160
DOI: 10.1016/J.ABB.2011.01.011