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2R9F

Calpain 1 proteolytic core inactivated by ZLAK-3002, 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
AHOH400
AHOH431

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 366
ChainResidue
AGLU333
AHOH390
AGLU302
AASP309
AMET329
AASP331

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 663
ChainResidue
AGLN96
APHE97
ASER140
APHE141
AGLN142
AHOH425

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 664
ChainResidue
AGLN40
ALYS84
AHOH414

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 665
ChainResidue
AILE35
ALYS36
ASER65
AHOH381
AHOH507

site_idAC6
Number of Residues17
DetailsBINDING SITE FOR RESIDUE K2Z A 367
ChainResidue
AGLN109
AGLY110
ALEU112
AGLY113
AASP114
ACYS115
ATRP116
AGLY207
AGLY208
ATHR210
AGLY271
AHIS272
ATRP298
AHOH500
AHOH537
AHOH613
AHOH621

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 661
ChainResidue
ALEU38
AALA60
AARG87
AGLU90
ALEU167
AHOH447
AHOH582

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 662
ChainResidue
ALEU91
AGLY173
ALYS174
AGLU215
AGLY220
ATHR222
AHOH415
AHOH473
AHOH609

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 Residues3
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
ACYS115
AHIS272
AASN296

site_idSWS_FT_FI2
Number of Residues1
DetailsSITE: Cleavage; for 75 kDa form => ECO:0000250
ChainResidueDetails
AGLY27

site_idSWS_FT_FI3
Number of Residues1
DetailsMOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P07384
ChainResidueDetails
ATHR354

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 2024-07-24

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