2XZD

Caspase-3 in Complex with an Inhibitory DARPin-3.4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	CASPASE-3	polymer	149	16874.2	2	UniProt (P42574) Pfam (PF00656)	HOMO SAPIENS (HUMAN)	CASP-3, APOPAIN, CYSTEINE PROTEASE CPP32, CPP-32 PROTEIN YAM, SREBP CLEAVAGE ACTIVITY 1, SCA-1
2	B, D (B, D)	CASPASE-3	polymer	118	13832.7	2	UniProt (P42574) Pfam (PF00656)	HOMO SAPIENS (HUMAN)	CASP-3, APOPAIN, CYSTEINE PROTEASE CPP32, CPP-32 PROTEIN YAM, SREBP CLEAVAGE ACTIVITY 1, SCA-1
3	E, F (G, H)	DARPIN-3.4	polymer	136	14740.5	2		SYNTHETIC CONSTRUCT
4	G, I, J (A, C)	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	3	Chemie (MRD)
5	H (B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
6	K, L, M, N, O... (A, B, C, D, G...)	water	water		18.0	317	Chemie (HOH)

Sequence modifications

A, C: 27 - 175 (UniProt: P42574)

PDB	External Database	Details
Ser 28	Asp 28	engineered mutation

B, D: 176 - 277 (UniProt: P42574)

PDB	External Database	Details
Ala 278	-	expression tag
Leu 279	-	expression tag
Glu 280	-	expression tag
Val 281	-	expression tag
Leu 282	-	expression tag
Phe 283	-	expression tag
Gln 284	-	expression tag
Gly 285	-	expression tag
Pro 286	-	expression tag
His 287	-	expression tag
His 288	-	expression tag
His 289	-	expression tag
His 290	-	expression tag
His 291	-	expression tag
His 292	-	expression tag
His 293	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	90894.9
Non-Polymers*	Number of molecules	4
	Total formula weight	472.7
All*	Total formula weight	91367.6

*Water molecules are not included.