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Chlorine in PDB 6bgk: Caspase-3 Mutant- D9A,D28A,T152D

Enzymatic activity of Caspase-3 Mutant- D9A,D28A,T152D

All present enzymatic activity of Caspase-3 Mutant- D9A,D28A,T152D:
3.4.22.56;

Protein crystallography data

The structure of Caspase-3 Mutant- D9A,D28A,T152D, PDB code: 6bgk 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) 35.76 / 1.87
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 128.054, 69.133, 84.638, 90.00, 131.37, 90.00
R / Rfree (%) 15.9 / 21.1

Other elements in 6bgk:

The structure of Caspase-3 Mutant- D9A,D28A,T152D also contains other interesting chemical elements:

Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Caspase-3 Mutant- D9A,D28A,T152D (pdb code 6bgk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Caspase-3 Mutant- D9A,D28A,T152D, PDB code: 6bgk:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6bgk

Go back to Chlorine Binding Sites List in 6bgk
Chlorine binding site 1 out of 4 in the Caspase-3 Mutant- D9A,D28A,T152D


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- D9A,D28A,T152D within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:21.7
occ:1.00
 N A:GLY66 3.0 8.2 1.0
N A:ASP68 3.2 8.6 1.0
NZ A:LYS53 3.3 28.8 1.0
CB A:ASP68 3.4 14.3 1.0
N A:THR67 3.4 8.4 1.0
CE A:LYS53 3.6 35.3 1.0
CA A:GLY66 3.6 12.3 1.0
C A:GLY66 3.6 13.3 1.0
CG A:ASP68 3.6 15.5 1.0
OD2 A:ASP68 3.8 11.7 1.0
CA A:ASP68 3.9 9.1 1.0
CD A:LYS53 4.0 13.6 1.0
C A:SER65 4.0 12.1 1.0
CA A:SER65 4.2 11.9 1.0
C A:THR67 4.2 10.3 1.0
O A:ARG64 4.3 8.6 1.0
OD1 A:ASP68 4.3 11.8 1.0
CG2 A:THR67 4.3 10.6 1.0
CA A:THR67 4.3 7.1 1.0
O A:GLY66 4.4 16.5 1.0
O A:HOH562 4.4 21.1 1.0
O A:HOH466 4.5 18.9 1.0
N A:VAL69 4.6 7.2 1.0
C A:ASP68 4.8 5.6 1.0
CG A:LYS53 4.8 15.6 1.0
CB A:THR67 4.9 13.6 1.0

Chlorine binding site 2 out of 4 in 6bgk

Go back to Chlorine Binding Sites List in 6bgk
Chlorine binding site 2 out of 4 in the Caspase-3 Mutant- D9A,D28A,T152D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Caspase-3 Mutant- D9A,D28A,T152D within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:24.1
occ:1.00
 OD2 C:ASP192 2.7 9.9 1.0
N A:GLY153 2.7 8.5 1.0
O C:HOH446 2.9 9.6 1.0
NZ A:LYS156 2.9 6.6 1.0
CD1 C:ILE187 3.5 14.3 1.0
CG C:ASP192 3.5 8.7 1.0
CB C:ASP192 3.5 9.0 1.0
O C:ALA191 3.6 10.4 1.0
CA A:GLY153 3.6 5.5 1.0
C A:ASP152 3.6 9.7 1.0
CA A:ASP152 3.6 7.7 1.0
CE A:LYS156 3.8 6.6 1.0
O A:LEU151 3.8 8.7 1.0
N A:LYS154 4.1 8.6 1.0
C C:ALA191 4.3 8.6 1.0
C A:GLY153 4.3 7.8 1.0
O A:HOH488 4.3 6.8 1.0
O A:LYS154 4.4 7.8 1.0
OD1 A:ASP152 4.6 12.4 1.0
N A:ASP152 4.6 12.7 1.0
C A:LEU151 4.6 7.4 1.0
CB A:ASP152 4.6 13.7 1.0
O C:HOH427 4.6 10.0 1.0
CA C:ASP192 4.7 7.9 1.0
OD1 C:ASP192 4.7 7.9 1.0
O A:ASP152 4.8 9.1 1.0
N C:ASP192 4.8 8.3 1.0
CA A:GLY145 4.8 12.0 1.0
CG1 C:ILE187 4.9 14.5 1.0
CB C:ALA191 4.9 11.0 1.0

Chlorine binding site 3 out of 4 in 6bgk

Go back to Chlorine Binding Sites List in 6bgk
Chlorine binding site 3 out of 4 in the Caspase-3 Mutant- D9A,D28A,T152D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Caspase-3 Mutant- D9A,D28A,T152D within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:19.1
occ:1.00
 N B:GLY66 3.0 7.4 1.0
NZ B:LYS53 3.1 25.4 1.0
N B:ASP68 3.2 5.2 1.0
N B:THR67 3.5 8.7 1.0
CE B:LYS53 3.5 31.7 1.0
CB B:ASP68 3.5 12.8 1.0
CA B:GLY66 3.6 9.9 1.0
CG B:ASP68 3.6 10.8 1.0
C B:GLY66 3.7 12.4 1.0
OD2 B:ASP68 3.7 11.5 1.0
CD B:LYS53 3.9 15.5 1.0
CA B:ASP68 3.9 8.9 1.0
C B:SER65 4.0 11.4 1.0
CA B:SER65 4.2 12.2 1.0
C B:THR67 4.2 9.1 1.0
OD1 B:ASP68 4.3 10.7 1.0
O B:ARG64 4.3 9.6 1.0
CA B:THR67 4.4 5.8 1.0
CG2 B:THR67 4.4 10.2 1.0
O B:HOH436 4.4 17.2 1.0
O B:GLY66 4.5 10.7 1.0
N B:VAL69 4.6 6.2 1.0
CG B:LYS53 4.8 13.3 1.0
C B:ASP68 4.8 8.8 1.0
CB B:THR67 5.0 10.7 1.0

Chlorine binding site 4 out of 4 in 6bgk

Go back to Chlorine Binding Sites List in 6bgk
Chlorine binding site 4 out of 4 in the Caspase-3 Mutant- D9A,D28A,T152D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Caspase-3 Mutant- D9A,D28A,T152D within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:25.9
occ:1.00
 OD2 D:ASP192 2.7 10.3 1.0
O D:HOH446 2.8 8.8 1.0
N B:GLY153 2.9 10.2 1.0
NZ B:LYS156 2.9 5.8 1.0
O D:ALA191 3.5 9.3 1.0
CD1 D:ILE187 3.5 13.7 1.0
CB D:ASP192 3.5 9.1 1.0
CG D:ASP192 3.6 7.0 1.0
CA B:ASP152 3.7 8.6 1.0
CA B:GLY153 3.7 7.0 1.0
C B:ASP152 3.7 11.7 1.0
CE B:LYS156 3.8 8.6 1.0
O B:LEU151 3.8 8.6 1.0
C D:ALA191 4.2 8.5 1.0
N B:LYS154 4.2 9.8 1.0
NA B:NA202 4.3 13.7 1.0
C B:GLY153 4.4 9.0 1.0
O B:LYS154 4.4 6.5 1.0
OD1 B:ASP152 4.5 12.3 1.0
C B:LEU151 4.6 7.5 1.0
N B:ASP152 4.6 11.2 1.0
O D:HOH424 4.6 9.1 1.0
CB B:ASP152 4.7 14.6 1.0
CA D:ASP192 4.7 6.9 1.0
CA B:GLY145 4.8 8.5 1.0
OD1 D:ASP192 4.8 6.3 1.0
N D:ASP192 4.8 6.8 1.0
CG1 D:ILE187 4.8 15.6 1.0
CB D:ALA191 4.9 8.0 1.0
O B:ASP152 4.9 10.3 1.0

Reference:

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
Page generated: Fri Jul 26 22:46:56 2024

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