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2R9C

Calpain 1 proteolytic core inactivated by ZLAK-3001, an alpha-ketoamide

Functional Information from GO Data
ChainGOidnamespacecontents
A0004198molecular_functioncalcium-dependent cysteine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA A 365
ChainResidue
AGLY101
AASP106
AGLU185
AHOH377
AHOH434

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 366
ChainResidue
AGLU333
AHOH415
AGLU302
AASP309
AMET329
AASP331

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 3
ChainResidue
AGLN40
ALYS84
AHOH408

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 4
ChainResidue
AILE35
ALYS36
ASER65
AHOH468

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 5
ChainResidue
AGLN96
APHE97
ASER140
APHE141
AGLN142

site_idAC6
Number of Residues20
DetailsBINDING SITE FOR RESIDUE GRD A 1
ChainResidue
AGLN109
AGLY110
ALEU112
AGLY113
AASP114
ACYS115
ATRP116
AGLY207
AGLY208
ATHR210
AGLY271
AHIS272
AGLN287
ATRP298
AGLU300
AHOH432
AHOH459
AHOH487
AHOH517
AHOH665

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 367
ChainResidue
ALEU91
AGLY173
ALYS174
AGLU215
AGLY220
ATHR222
AHOH407
AHOH422
AHOH550

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 2
ChainResidue
ATYR37
ALEU38
AALA60
AARG87
AGLU90
AHOH463
AHOH604

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

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PDB entries from 2025-07-30

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