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 | 2 |
| Details | Active site: {"evidences":[{"source":"PubMed","id":"10508785","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"O89110","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"15592455","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| 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"}]} |
| Chain | Residue | Details |
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 |
