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2NQI

Calpain 1 proteolytic core inactivated by WR13(R,R), an epoxysuccinyl-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 Residues6
DetailsBINDING SITE FOR RESIDUE CA A 401
ChainResidue
AVAL99
AGLY101
AASP106
AGLN182
AGLU185
AHOH544

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 402
ChainResidue
AASP331
AGLU333
AHOH536
AGLU302
AASP309
AMET329

site_idAC3
Number of Residues18
DetailsBINDING SITE FOR RESIDUE NQI A 501
ChainResidue
AGLN109
AGLY113
AASP114
ACYS115
ATRP116
ASER206
AGLY207
AGLY208
ASER251
AGLY271
AHIS272
AALA273
AGLN287
ATRP298
AARG339
AHOH552
AHOH563
AHOH636

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 2025-08-27

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