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3QSD

Structure of cathepsin B1 from Schistosoma mansoni in complex with CA074 inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues20
DetailsBINDING SITE FOR RESIDUE 074 A 324
ChainResidue
ALYS86
ALEU146
AHIS180
AHIS181
AILE193
AGLY269
AHIS270
ATRP292
AGLU316
AHOH339
AHOH360
AGLN94
AHOH383
ASER95
AGLY98
ASER99
ACYS100
ATRP101
AGLY143
AGLY144

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE PEG A 1
ChainResidue
AHOH41
AHOH46
AASP77
AARG79
AALA89
ATHR246
AGLY268
AHOH494
AHOH534
AHOH642
AHOH692

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT A 325
ChainResidue
AHOH52
AHOH62
AARG92
AGLU124
ASER163
AHOH432
AHOH570

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT A 2
ChainResidue
AGLN121
ALYS215
AHIS216
AARG217
AHOH366
AHOH552
AHOH679

Functional Information from PROSITE/UniProt
site_idPS00139
Number of Residues12
DetailsTHIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QSrCGSCWAfGA
ChainResidueDetails
AGLN94-ALA105

site_idPS00639
Number of Residues11
DetailsTHIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. GGHAIRIIGWG
ChainResidueDetails
AGLY268-GLY278

site_idPS00640
Number of Residues20
DetailsTHIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. YWLiANSWnedWGenGYFrI
ChainResidueDetails
ATYR285-ILE304

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PDB entries from 2024-09-11

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