2C2Z

Crystal structure of caspase-8 in complex with aza-peptide Michael acceptor inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	CASPASE-8 P18 SUBUNIT	polymer	159	18027.6	1	UniProt (Q14790) Pfam (PF00656) In PDB	HOMO SAPIENS (HUMAN)
2	B	CASPASE-8 P10 SUBUNIT	polymer	106	12238.8	1	UniProt (Q14790) Pfam (PF00656) In PDB	HOMO SAPIENS (HUMAN)
3	C	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	polymer	5	801.3	1	BIRD (PRD_000336)	SYNTHETIC CONSTRUCT
4	B	DITHIANE DIOL	non-polymer		152.2	1	Chemie (DTD)
5		water	water		18.0	324	Chemie (HOH)

Sequence modifications

A: 216 - 217 (PDB: 2C2Z)
A: 218 - 374 (UniProt: Q14790)
B: 374 - 375 (PDB: 2C2Z)
B: 376 - 479 (UniProt: Q14790)

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	31067.7
Non-Polymers*	Number of molecules	1
	Total formula weight	152.2
All*	Total formula weight	31219.9

*Water molecules are not included.