4JR0
Human procaspase-3 bound to Ac-DEVD-CMK
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 | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 301 |
| Chain | Residue |
| A | LYS53 |
| A | GLY66 |
| A | THR67 |
| A | ASP68 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL B 301 |
| Chain | Residue |
| B | LYS53 |
| B | GLY66 |
| B | THR67 |
| B | ASP68 |
| site_id | AC3 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR CHAIN C OF AC-DEVD-CMK |
| Chain | Residue |
| A | SER120 |
| A | HIS121 |
| A | GLY122 |
| A | GLN161 |
| A | CYS163 |
| A | SER205 |
| A | TRP206 |
| A | ARG207 |
| A | ASN208 |
| A | SER209 |
| A | SER249 |
| A | PHE250 |
| A | HOH447 |
| A | HOH584 |
| A | HOH612 |
| C | HOH201 |
| C | HOH202 |
| C | HOH203 |
| C | HOH204 |
| C | HOH205 |
| C | HOH206 |
| A | ARG64 |
| site_id | AC4 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR CHAIN D OF AC-DEVD-CMK |
| Chain | Residue |
| B | ARG64 |
| B | SER120 |
| B | HIS121 |
| B | GLY122 |
| B | GLN161 |
| B | CYS163 |
| B | SER205 |
| B | TRP206 |
| B | ARG207 |
| B | ASN208 |
| B | SER209 |
| B | TRP214 |
| B | SER249 |
| B | PHE250 |
| B | HOH460 |
| B | HOH494 |
| B | HOH568 |
| D | HOH201 |
| D | HOH202 |
| D | HOH203 |
| D | HOH204 |
| D | HOH205 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"evidences":[{"source":"UniProtKB","id":"P29466","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| 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 | 2 |
| 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 | 5 |
| 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 |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 815 |
| Chain | Residue | Details |
| B | THR62 | electrostatic stabiliser |
| B | SER63 | electrostatic stabiliser |
| B | HIS121 | electrostatic stabiliser, proton acceptor, proton donor |
| B | GLY122 | electrostatic stabiliser |
| B | CYS163 | electrostatic stabiliser |
