2C1E
Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
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 | 27 |
Details | BINDING SITE FOR CHAIN C OF AZA-PEPTIDE INHIBITOR (5S,8R,11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4- ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL- 2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID |
Chain | Residue |
A | MET61 |
A | ALA162 |
A | CYS163 |
A | HOH2070 |
B | ASP179 |
B | SER205 |
B | TRP206 |
B | ARG207 |
B | ASN208 |
B | SER209 |
B | SER249 |
A | SER63 |
B | PHE250 |
B | PHE252 |
B | HOH2120 |
C | HOH2267 |
C | HOH2268 |
C | HOH2269 |
C | HOH2270 |
C | HOH2271 |
A | ARG64 |
A | SER65 |
A | GLU84 |
A | SER120 |
A | HIS121 |
A | GLY122 |
A | GLN161 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 1 |
Details | MOD_RES: (Microbial infection) ADP-riboxanated arginine => ECO:0000269|PubMed:35338844, ECO:0000269|PubMed:35446120, ECO:0000269|PubMed:36423631 |
Chain | Residue | Details |
B | ARG207 | |
A | CYS163 |
site_id | SWS_FT_FI2 |
Number of Residues | 1 |
Details | MOD_RES: S-nitrosocysteine; in inhibited form => ECO:0000269|PubMed:10213689 |
Chain | Residue | Details |
A | CYS163 |
Catalytic Information from CSA
site_id | CSA1 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1qx3 |
Chain | Residue | Details |
A | HIS121 | |
A | GLY122 | |
A | CYS163 |
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 |