2FQQ

Crystal structure of human caspase-1 (Cys285->Ala, Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 1-methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Caspase-1	polymer	178	19837.8	1	UniProt (P29466) Pfam (PF00656) In PDB	Homo sapiens (human)
2	B	Caspase-1	polymer	88	10162.6	1	UniProt (P29466) Pfam (PF00656) In PDB	Homo sapiens (human)
3	B	1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE	non-polymer		309.3	1	Chemie (F1G)
4		water	water		18.0	18	Chemie (HOH)

Sequence modifications

A: 120 - 297 (UniProt: P29466)

PDB	External Database	Details
Ala 285	Cys 285	engineered mutation

B: 317 - 404 (UniProt: P29466)

PDB	External Database	Details
Ala 362	Cys 362	engineered mutation
Ala 364	Cys 364	engineered mutation
Ala 397	Cys 397	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	30000.3
Non-Polymers*	Number of molecules	1
	Total formula weight	309.3
All*	Total formula weight	30309.7

*Water molecules are not included.