Sodium in PDB 6bgq: Caspase-3 Mutant - S150D

All present enzymatic activity of Caspase-3 Mutant - S150D:
3.4.22.56;

The structure of Caspase-3 Mutant - S150D, PDB code: 6bgq 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)	35.65 / 1.97
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.465, 96.210, 68.332, 90.00, 129.01, 90.00
R / Rfree (%)	18 / 22.4

The structure of Caspase-3 Mutant - S150D also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Sodium atom in the Caspase-3 Mutant - S150D (pdb code 6bgq). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Caspase-3 Mutant - S150D, PDB code: 6bgq:

Sodium binding site 1 out of 1 in the Caspase-3 Mutant - S150D


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Caspase-3 Mutant - S150D within 5.0Å range: probe atom residue distance (Å) B Occ D:Na301 b:22.1 occ:1.00 OD2 D:ASP192 2.6 11.6 1.0 N C:GLY153 2.7 10.8 1.0 O D:HOH427 2.8 11.7 1.0 NZ C:LYS156 3.0 9.5 1.0 CB D:ASP192 3.4 9.8 1.0 CG D:ASP192 3.4 16.1 1.0 CD1 D:ILE187 3.4 15.3 1.0 O D:ALA191 3.5 10.6 1.0 CA C:GLY153 3.5 9.4 1.0 C C:THR152 3.7 12.9 1.0 CA C:THR152 3.8 11.7 1.0 CE C:LYS156 3.9 11.3 1.0 O C:LEU151 4.0 12.1 1.0 C C:GLY153 4.1 13.8 1.0 N C:LYS154 4.1 12.7 1.0 C D:ALA191 4.2 9.0 1.0 O C:LYS154 4.4 8.2 1.0 O C:HOH438 4.5 13.0 1.0 CG2 C:THR152 4.5 19.5 1.0 O D:HOH409 4.5 13.8 1.0 CA C:GLY145 4.5 18.2 1.0 OD1 D:ASP192 4.6 7.9 1.0 CA D:ASP192 4.6 14.3 1.0 CB C:THR152 4.8 19.2 1.0 N D:ASP192 4.8 12.4 1.0 N C:THR152 4.8 13.5 1.0 C C:LEU151 4.8 13.2 1.0 O C:THR152 4.8 13.0 1.0 CG1 D:ILE187 4.9 13.4 1.0 CB D:ALA191 5.0 11.2 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