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5OGR

Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR286 inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
B0006508biological_processproteolysis
B0008234molecular_functioncysteine-type peptidase activity
C0006508biological_processproteolysis
C0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues15
Detailsbinding site for residue VS4 A 401
ChainResidue
AGLN94
AVAL247
ALEU267
AGLY269
AHIS270
ATRP292
AHOH718
AGLY98
ACYS100
ATRP101
ACYS141
AGLU142
AGLY143
AGLY144
AILE145

site_idAC2
Number of Residues5
Detailsbinding site for residue ACT A 402
ChainResidue
APHE76
AASP77
AHOH507
AHOH513
AHOH714

site_idAC3
Number of Residues4
Detailsbinding site for residue ACT B 402
ChainResidue
BPHE76
BASP77
BHOH511
BHOH614

site_idAC4
Number of Residues4
Detailsbinding site for residue ACT C 402
ChainResidue
CPHE76
CASP77
CHOH507
CHOH614

site_idAC5
Number of Residues23
Detailsbinding site for Di-peptide VS4 B 401 and CYS B 100
ChainResidue
AARG79
APRO83
AHOH568
BGLN94
BGLY98
BSER99
BTRP101
BALA102
BPHE103
BGLY104
BCYS141
BGLU142
BGLY143
BGLY144
BILE145
BILE193
BVAL247
BLEU267
BGLY269
BHIS270
BALA271
BTRP292
BHOH599

site_idAC6
Number of Residues22
Detailsbinding site for Di-peptide VS4 C 401 and CYS C 100
ChainResidue
CGLN94
CGLY98
CSER99
CTRP101
CALA102
CPHE103
CGLY104
CLEU139
CCYS141
CGLU142
CGLY143
CGLY144
CILE145
CLEU146
CVAL247
CLEU267
CGLY269
CHIS270
CALA271
CTRP292
CHOH575
CHOH608

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 2024-10-16

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