4PS1

Caspase-8 specific unnatural amino acid peptides

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Caspase-8	polymer	275	31447.6	4	UniProt (Q14790) Pfam (PF00656)	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	E, F, G, H (E, F, G, H)	(BAL)LQ(HYP)(1U8) PEPTIDE	polymer	5	704.8	4
3	I, J, K, L (A, B, C, D)	2,3-DIHYDROXY-1,4-DITHIOBUTANE	non-polymer		154.3	4	Chemie (DTT)
4	M, N, O, P, Q... (A, B, C, D, E...)	water	water		18.0	855	Chemie (HOH)

Sequence modifications

A, B, C, D: 217 - 479 (UniProt: Q14790)

PDB	External Database	Details
Met 216	-	expression tag
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	8
	Total formula weight	128609.5
Non-Polymers*	Number of molecules	4
	Total formula weight	617.0
All*	Total formula weight	129226.5

*Water molecules are not included.