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4JJ7

Caspase-3 specific unnatural amino acid-based peptides

Functional Information from GO Data
ChainGOidnamespacecontents
A0004197molecular_functioncysteine-type endopeptidase activity
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE DTD A 601
ChainResidue
ATYR392
AASP454
AMET459

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE DTD A 602
ChainResidue
AHOH874
AHOH876
AHOH913
AHOH1001
ATYR334
ATHR337
AGLU396
APHE399
ALEU401
ATHR469

site_idAC3
Number of Residues24
DetailsBINDING SITE FOR CHAIN B OF CASPASE INHIBITOR
ChainResidue
AARG258
AARG260
AASN261
ASER316
AHIS317
AGLY318
AGLN358
ACYS360
ASER411
ATYR412
AARG413
APRO415
BHOH601
BHOH602
BHOH603
BHOH604
BHOH605
BHOH607
BHOH608
BHOH609
BHOH611
BHOH613
BHOH614
BHOH615

Functional Information from PROSITE/UniProt
site_idPS01121
Number of Residues15
DetailsCASPASE_HIS Caspase family histidine active site. HsnmdCfiCcILSHG
ChainResidueDetails
AHIS304-GLY318

site_idPS01122
Number of Residues12
DetailsCASPASE_CYS Caspase family cysteine active site. KPKVFFIQACQG
ChainResidueDetails
ALYS351-GLY362

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsActive site: {"evidences":[{"source":"PubMed","id":"10508785","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsModified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"O89110","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues1
DetailsModified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"15592455","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues1
DetailsModified residue: {"description":"(Microbial infection) ADP-riboxanated arginine","evidences":[{"source":"PubMed","id":"35338844","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"35446120","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 818
ChainResidueDetails
AARG258electrostatic stabiliser
AHIS317proton acceptor, proton donor
AGLY318electrostatic stabiliser
ACYS360nucleofuge, nucleophile, proton acceptor, proton donor

238582

PDB entries from 2025-07-09

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