6BFO
Caspase-3 Mutant- T245D
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| A | 0006508 | biological_process | proteolysis |
| A | 0008234 | molecular_function | cysteine-type peptidase activity |
| B | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| B | 0006508 | biological_process | proteolysis |
| B | 0008234 | molecular_function | cysteine-type peptidase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | binding site for residue NA A 201 |
| Chain | Residue |
| A | GLN161 |
| B | SER205 |
| B | TRP206 |
| B | SER213 |
| B | TRP214 |
| B | PHE215 |
| B | GLN261 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue NA A 202 |
| Chain | Residue |
| A | ASP70 |
| A | LEU119 |
| A | ARG64 |
| A | THR67 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue NA A 203 |
| Chain | Residue |
| A | PHE143 |
| A | ARG144 |
| A | GLY145 |
| A | CYS148 |
| A | LEU151 |
| A | THR152 |
| A | LYS156 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue NA A 204 |
| Chain | Residue |
| A | ILE160 |
| A | ALA162 |
| B | SER198 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue AZI A 205 |
| Chain | Residue |
| A | GLY66 |
| A | THR67 |
| A | ASP68 |
| A | VAL69 |
| A | HOH473 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue AZI A 206 |
| Chain | Residue |
| A | THR92 |
| A | GLU94 |
| A | GLU95 |
| A | HOH467 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue NA B 301 |
| Chain | Residue |
| A | GLY153 |
| A | LYS156 |
| B | ILE187 |
| B | ALA191 |
| B | ASP192 |
| B | NA305 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue NA B 302 |
| Chain | Residue |
| B | ALA196 |
| B | TYR197 |
| B | PHE215 |
| B | CYS264 |
| B | ILE265 |
| B | NA306 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue NA B 303 |
| Chain | Residue |
| B | VAL243 |
| B | ALA244 |
| B | PHE247 |
| B | LYS260 |
| B | GLN261 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue NA B 304 |
| Chain | Residue |
| B | MET233 |
| B | THR237 |
| B | SER267 |
| B | LEU269 |
| B | HOH435 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue NA B 305 |
| Chain | Residue |
| A | GLY145 |
| B | PRO188 |
| B | VAL189 |
| B | ALA191 |
| B | NA301 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue NA B 306 |
| Chain | Residue |
| B | LEU236 |
| B | ASN240 |
| B | ILE265 |
| B | NA302 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue NA B 307 |
| Chain | Residue |
| A | LEU168 |
| A | ASP169 |
| B | TRP206 |
| B | LYS259 |
| B | LYS260 |
| B | HOH436 |
| site_id | AD5 |
| Number of Residues | 26 |
| Details | binding site for Ac-Asp-Glu-Val-Asp-CMK chain D |
| Chain | Residue |
| A | SER58 |
| A | ARG64 |
| A | HIS121 |
| A | GLY122 |
| A | GLN161 |
| A | CYS163 |
| A | HOH432 |
| A | HOH494 |
| B | TYR204 |
| B | SER205 |
| B | TRP206 |
| B | ARG207 |
| B | ASN208 |
| B | SER209 |
| B | TRP214 |
| B | SER249 |
| B | PHE250 |
| B | HOH420 |
| D | HOH101 |
| D | HOH102 |
| D | HOH103 |
| D | HOH104 |
| D | HOH105 |
| D | HOH106 |
| D | HOH107 |
| D | HOH108 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"evidences":[{"source":"UniProtKB","id":"P29466","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"S-nitrosocysteine; in inhibited form","evidences":[{"source":"PubMed","id":"10213689","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"(Microbial infection) ADP-riboxanated arginine","evidences":[{"source":"PubMed","id":"35338844","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"35446120","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"36423631","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | |
| Details | M-CSA 815 |
| Chain | Residue | Details |
| A | THR62 | electrostatic stabiliser |
| A | SER63 | electrostatic stabiliser |
| A | HIS121 | electrostatic stabiliser, proton acceptor, proton donor |
| A | GLY122 | electrostatic stabiliser |
| A | CYS163 | electrostatic stabiliser |
