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2G8E

Calpain 1 proteolytic core in complex with SNJ-1715, a cyclic hemiacetal-type inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004198molecular_functioncalcium-dependent cysteine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA A 365
ChainResidue
AVAL99
AGLY101
AASP106
AGLN182
AGLU185
AHOH464
AHOH491

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 366
ChainResidue
AMET329
AASP331
AGLU333
AHOH480
AGLU302
AASP309

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 0M6 A 400
ChainResidue
AGLN109
AGLY113
ACYS115
ATRP116
AGLY207
AGLY208
ACYS209
ASER251
AGLY271
AHIS272
AHOH412
AHOH537

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MES A 401
ChainResidue
AGLY110
AALA111
ALEU112
AGLY113
AGLU261
ATRP298

Functional Information from PROSITE/UniProt
site_idPS00139
Number of Residues12
DetailsTHIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QGaLGDCWLlAA
ChainResidueDetails
AGLN109-ALA120

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues299
DetailsDomain: {"description":"Calpain catalytic","evidences":[{"source":"PROSITE-ProRule","id":"PRU00239","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues3
DetailsActive site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues1
DetailsModified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P07384","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1kfu
ChainResidueDetails
AHIS272
AGLN109
AASN296
ACYS115

site_idCSA2
Number of Residues5
DetailsAnnotated By Reference To The Literature 1kfu
ChainResidueDetails
AHIS272
AGLN109
ATRP298
AASN296
ACYS115

246031

PDB entries from 2025-12-10

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