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4PI3

Crystal structure analysis of cruzain bound to vinyl sulfone analog of WRR-483 (WRR-666)

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
B0006508biological_processproteolysis
B0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues21
Detailsbinding site for residue 2V5 A 301
ChainResidue
AGLN19
AALA138
AMET145
ALEU160
AASP161
AHIS162
ATRP184
AGLU208
AHOH573
AHOH588
AHOH638
AGLY23
BASP161
B2V5301
ACYS25
ATRP26
ASER61
ACYS63
AGLY65
AGLY66
ALEU67

site_idAC2
Number of Residues24
Detailsbinding site for Di-peptide 2V5 B 301 and CYS B 25
ChainResidue
AASP161
A2V5301
BGLN19
BGLY23
BSER24
BTRP26
BALA27
BPHE28
BSER29
BSER61
BCYS63
BGLY65
BGLY66
BLEU67
BALA138
BMET145
BLEU160
BASP161
BHIS162
BGLY163
BTRP184
BGLU208
BHOH494
BHOH608

Functional Information from PROSITE/UniProt
site_idPS00139
Number of Residues12
DetailsTHIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QGqCGSCWAfSA
ChainResidueDetails
AGLN19-ALA30

site_idPS00639
Number of Residues11
DetailsTHIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. LDHGVLLVGYN
ChainResidueDetails
ALEU160-ASN170

site_idPS00640
Number of Residues20
DetailsTHIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. YWIiKNSWttqWGeeGYIrI
ChainResidueDetails
ATYR177-ILE196

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsACT_SITE:
ChainResidueDetails
ACYS25
AHIS162
AASN182
BCYS25
BHIS162
BASN182

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Cleavage; by autolysis => ECO:0000269|PubMed:1559982
ChainResidueDetails
AGLY215
BGLY215

site_idSWS_FT_FI3
Number of Residues4
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN47
AASN170
BASN47
BASN170

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PDB entries from 2024-07-24

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