Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15700 | Target Info | |||
| Target Name | Caspase-8 (CASP8) | ||||
| Synonyms | MORT1-associated CED-3 homolog; MCH5; MACH; ICE-like apoptotic protease 5; FLICE; FADD-like ICE; FADD-homologous ICE/CED-3-like protease; CASP-8; CAP4; Apoptotic protease Mch-5; Apoptotic cysteine protease | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | CASP8 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid | Ligand Info | |||
| Canonical SMILES | CC1=C(C(=CC=C1)C)C(=O)OCC(=O)C(CC(=O)O)N | ||||
| InChI | 1S/C14H17NO5/c1-8-4-3-5-9(2)13(8)14(19)20-7-11(16)10(15)6-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,17,18)/t10-/m0/s1 | ||||
| InChIKey | LGZCUCLBOSCDMA-JTQLQIEISA-N | ||||
| PubChem Compound ID | 137347995 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4JJ7 Caspase-3 specific unnatural amino acid-based peptides | ||||||
| Method | X-ray diffraction | Resolution | 1.18 Å | Mutation | No | [1] |
| PDB Sequence |
DKVYQMKSKP
232 RGYCLIINNH242 NFAKAREKVP252 KLHSIRDRNG262 THLDAGALTT272 TFEELHFEIK 282 PHDDCTVEQI292 YEILKIYQLM302 DHSNMDCFIC312 CILSHGDKGI322 IYGTDGQEAP 332 IYELTSQFTG342 LKCPSLAGKP352 KVFFIQACQG362 DNYQKGIPVE372 TDTRYIPDEA 397 DFLLGMATVN407 NCVSYRNPAE417 GTWYIQSLCQ427 SLRERCPRGD437 DILTILTEVN 447 YEVSNKDDKK457 NMGKQMPQPT467 FTLRKKLVFP477 S
|
|||||
|
|
||||||
| PDB ID: 4PRZ Caspase-8 specific unnatural amino acid peptides | ||||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [2] |
| PDB Sequence |
DKVYQMKSKP
232 RGYCLIINNH242 NFAKAREKVP252 KLHSIRDRNG262 THLDAGALTT272 TFEELHFEIK 282 PHDDCTVEQI292 YEILKIYQLM302 DHSNMDCFIC312 CILSHGDKGI322 IYGTDGQEAP 332 IYELTSQFTG342 LKCPSLAGKP352 KVFFIQACQG362 DNYQKGIPVE372 TTRYIPDEAD 398 FLLGMATVNN408 CVSYRNPAEG418 TWYIQSLCQS428 LRERCPRGDD438 ILTILTEVNY 448 EVSNKDDKKN458 MGKQMPQPTF468 TLRKKLVFPS478
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Selective detection of caspase-3 versus caspase-7 using activity-based probes with key unnatural amino acids. ACS Chem Biol. 2013 Jul 19;8(7):1558-66. | ||||
| REF 2 | Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. ACS Chem Biol. 2014 Oct 17;9(10):2194-8. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.