2C2Z
Crystal structure of caspase-8 in complex with aza-peptide Michael acceptor inhibitor
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 | 10 |
Details | BINDING SITE FOR RESIDUE DTD B 1480 |
Chain | Residue |
A | TYR334 |
B | HOH2104 |
A | THR337 |
A | HOH2168 |
B | GLU396 |
B | PHE399 |
B | LEU401 |
B | GLN465 |
B | THR469 |
B | HOH2103 |
site_id | AC2 |
Number of Residues | 28 |
Details | BINDING SITE FOR CHAIN C OF AZA-PEPTIDE INHIBITOR (5S,8R,11S)-8-(2-CARBOXYETHYL)-14-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL]-11-[(1R)-1-HYDROXYETHYL]-5-(2-METHYLPROPYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID |
Chain | Residue |
A | LEU254 |
A | ARG260 |
A | SER316 |
A | HIS317 |
A | GLY318 |
A | TYR324 |
A | LEU343 |
A | LYS344 |
A | GLN358 |
A | ALA359 |
A | CYS360 |
A | HOH2051 |
B | SER411 |
B | TYR412 |
B | ARG413 |
B | ASN414 |
B | PRO415 |
B | ALA416 |
B | THR419 |
B | TRP420 |
B | HOH2037 |
C | HOH2216 |
C | HOH2217 |
C | HOH2218 |
C | HOH2220 |
C | HOH2221 |
C | HOH2222 |
C | HOH2224 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 1 |
Details | SITE: Cleavage; by autocatalytic cleavage => ECO:0000269|PubMed:8962078, ECO:0000269|PubMed:9184224 |
Chain | Residue | Details |
B | ASP384 | |
A | CYS360 |
site_id | SWS_FT_FI2 |
Number of Residues | 1 |
Details | MOD_RES: Phosphotyrosine; by SRC => ECO:0000269|PubMed:16619028, ECO:0000269|PubMed:27109099 |
Chain | Residue | Details |
B | TYR380 |
site_id | SWS_FT_FI3 |
Number of Residues | 1 |
Details | MOD_RES: Phosphoserine; by CDK1 => ECO:0000269|PubMed:20937773 |
Chain | Residue | Details |
B | SER387 |
site_id | SWS_FT_FI4 |
Number of Residues | 1 |
Details | MOD_RES: (Microbial infection) ADP-riboxanated arginine => ECO:0000269|PubMed:35338844, ECO:0000269|PubMed:35446120 |
Chain | Residue | Details |
B | ARG413 |
Catalytic Information from CSA
site_id | CSA1 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1nw9 |
Chain | Residue | Details |
A | HIS317 | |
A | GLY318 | |
A | CYS360 | |
A | ARG258 |
site_id | CSA2 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1nw9 |
Chain | Residue | Details |
A | GLY350 | |
A | HIS317 | |
A | CYS360 | |
A | ARG258 |
site_id | CSA3 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1nw9 |
Chain | Residue | Details |
A | HIS317 | |
A | CYS360 | |
A | GLY318 |
site_id | MCSA1 |
Number of Residues | |
Details | M-CSA 818 |
Chain | Residue | Details |
A | ARG258 | electrostatic stabiliser |
A | HIS317 | proton acceptor, proton donor |
A | GLY318 | electrostatic stabiliser |
A | CYS360 | nucleofuge, nucleophile, proton acceptor, proton donor |