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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004197	molecular_function	cysteine-type endopeptidase activity
A	0006508	biological_process	proteolysis
A	0008234	molecular_function	cysteine-type peptidase activity
B	0004197	molecular_function	cysteine-type endopeptidase activity
B	0006508	biological_process	proteolysis
B	0008234	molecular_function	cysteine-type peptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE F1G B 1

Chain	Residue
A	LEU258
A	LEU258
A	PHE262
A	ARG286
B	CYS331
B	GLU390
B	GLU390
B	ARG391

---

Functional Information from PROSITE/UniProt

site_id	PS00455
Number of Residues	12
Details	AMP_BINDING Putative AMP-binding domain signature. MPTSSGSEGnVK

Chain	Residue	Details
A	MET123-LYS134

---

site_id	PS01121
Number of Residues	15
Details	CASPASE_HIS Caspase family histidine active site. HktsdStfLvFMSHG

Chain	Residue	Details
A	HIS224-GLY238

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"evidences":[{"source":"PubMed","id":"1574116","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"evidences":[{"source":"PubMed","id":"1574116","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"32051255","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	a catalytic site defined by CSA, PubMed 16682620

Chain	Residue	Details
A	ARG286
A	ALA285

---

site_id	MCSA1
Number of Residues	1
Details	M-CSA 718

Chain	Residue	Details
B	GLU390	electrostatic stabiliser
A	GLY238	electrostatic stabiliser
A	ALA285	nucleofuge, nucleophile, proton acceptor, proton donor
A	ARG286	electrostatic stabiliser

---