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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
ChainGOidnamespacecontents
A0004197molecular_functioncysteine-type endopeptidase activity
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
B0004197molecular_functioncysteine-type endopeptidase activity
B0006508biological_processproteolysis
B0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE F1G B 1
ChainResidue
ALEU258
ALEU258
APHE262
AARG286
BCYS331
BGLU390
BGLU390
BARG391

Functional Information from PROSITE/UniProt
site_idPS00455
Number of Residues12
DetailsAMP_BINDING Putative AMP-binding domain signature. MPTSSGSEGnVK
ChainResidueDetails
AMET123-LYS134

site_idPS01121
Number of Residues15
DetailsCASPASE_HIS Caspase family histidine active site. HktsdStfLvFMSHG
ChainResidueDetails
AHIS224-GLY238

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: ACT_SITE => ECO:0000269|PubMed:1574116
ChainResidueDetails
AHIS237

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: ACT_SITE => ECO:0000269|PubMed:1574116, ECO:0000305|PubMed:32051255
ChainResidueDetails
AALA285

site_idSWS_FT_FI3
Number of Residues2
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:30065070
ChainResidueDetails
ALYS134

Catalytic Information from CSA
site_idCSA1
Number of Residues2
Detailsa catalytic site defined by CSA, PubMed 16682620
ChainResidueDetails
AARG286
AALA285

site_idMCSA1
Number of Residues1
DetailsM-CSA 718
ChainResidueDetails
BGLU390electrostatic stabiliser
AGLY238electrostatic stabiliser
AALA285nucleofuge, nucleophile, proton acceptor, proton donor
AARG286electrostatic stabiliser

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PDB entries from 2024-10-30

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