4JJ7

Caspase-3 specific unnatural amino acid-based peptides

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	polymer	275	31447.6	1	UniProt (Q14790) Pfam (PF00656) In PDB	Homo sapiens (human)	CASP-8, Apoptotic cysteine protease, Apoptotic protease Mch-5, CAP4, FADD-homologous ICE/ced-3-like protease, FADD-like ICE, FLICE, ICE-like apoptotic protease 5, MORT1-associated ced-3 homolog, MACH, Caspase-8 subunit p18, Caspase-8 subunit p10
2	B	Caspase inhibitor	polymer	6	822.9	1	BIRD (PRD_000925)
3	A	DITHIANE DIOL	non-polymer		152.2	2	Chemie (DTD)
4		water	water		18.0	269	Chemie (HOH)

Sequence modifications

A: 217 - 479 (UniProt: Q14790)

PDB	External Database	Details
Met 216	-	initiating methionine
Ala 480	-	expression tag
Ala 481	-	expression tag
Ala 482	-	expression tag
Leu 483	-	expression tag
Glu 484	-	expression tag
His 485	-	expression tag
His 486	-	expression tag
His 487	-	expression tag
His 488	-	expression tag
His 489	-	expression tag
His 490	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	32270.6
Non-Polymers*	Number of molecules	2
	Total formula weight	304.5
All*	Total formula weight	32575.0

*Water molecules are not included.