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3D6H

Crystal structure of human caspase-1 with a naturally-occurring Asn263->Ser substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)

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 Residues12
DetailsBINDING SITE FOR CHAIN C OF N-[(BENZYLOXY)CARBONYL]-L-VALYL-N-[(2S)-1-CARBOXY-4-FLUORO- 3-OXOBUTAN-2-YL]-L-ALANINAMIDE
ChainResidue
AARG179
BHIS342
BARG383
CHOH400
AHIS237
AGLY238
AGLN283
ACYS285
BHOH168
BSER339
BTRP340
BARG341

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

site_idPS01122
Number of Residues12
DetailsCASPASE_CYS Caspase family cysteine active site. KPKVIIIQACRG
ChainResidueDetails
ALYS276-GLY287

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsActive site: {"evidences":[{"source":"PubMed","id":"1574116","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsActive site: {"evidences":[{"source":"PubMed","id":"1574116","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"32051255","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"30065070","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idMCSA1
Number of Residues1
DetailsM-CSA 718
ChainResidueDetails
BGLU390electrostatic stabiliser
AGLY238electrostatic stabiliser
ACYS285nucleofuge, nucleophile, proton acceptor, proton donor
AARG286electrostatic stabiliser

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PDB entries from 2025-10-01

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