Chlorine in PDB 6bfj: Caspase-3 Mutant - T245D,S249D

All present enzymatic activity of Caspase-3 Mutant - T245D,S249D:
3.4.22.56;

The structure of Caspase-3 Mutant - T245D,S249D, PDB code: 6bfj was solved by M.E.Thomas, R.Grinshpon, P.D.Swartz, A.C.Clark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.72 / 1.54
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.232, 84.337, 95.968, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 16.2

The binding sites of Chlorine atom in the Caspase-3 Mutant - T245D,S249D (pdb code 6bfj). 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 Mutant - T245D,S249D, PDB code: 6bfj:

Chlorine binding site 1 out of 1 in the Caspase-3 Mutant - T245D,S249D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Caspase-3 Mutant - T245D,S249D within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl6 b:30.0 occ:1.00 CL1 C:0QE6 0.0 30.0 1.0 C1 C:0QE6 1.5 41.0 1.0 O A:HOH580 2.3 30.6 1.0 C C:ASP5 2.9 41.3 1.0 O C:ASP5 3.2 22.6 1.0 SG A:CYS163 3.3 8.2 1.0 CB A:CYS163 3.5 6.3 1.0 O A:HOH514 3.5 13.0 1.0 CE1 B:TYR204 3.7 9.1 1.0 CD1 B:TYR204 3.7 7.3 1.0 O A:GLY122 4.2 8.3 1.0 CA C:ASP5 4.2 29.8 1.0 O A:HOH600 4.4 37.1 1.0 O A:HOH612 4.5 38.1 1.0 O A:GLY165 4.5 8.8 1.0 N C:ASP5 4.6 25.7 1.0 ND1 A:HIS121 4.6 12.5 1.0 O A:HOH579 4.8 33.8 1.0 CG2 C:VAL4 4.9 19.3 1.0

M.E.Thomas, R.Grinshpon, P.Swartz, A.C.Clark. Modifications to A Common Phosphorylation Network Provide Individualized Control in Caspases. J. Biol. Chem. V. 293 5447 2018.
ISSN: ESSN 1083-351X
PubMed: 29414778
DOI: 10.1074/JBC.RA117.000728