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4KLB

Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176

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
D0006508biological_processproteolysis
D0008234molecular_functioncysteine-type peptidase activity
E0006508biological_processproteolysis
E0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE 1RV A 301
ChainResidue
ACYS25
AGLY65
AGLY66
AALA138
AASP161
AGLY163
AHOH428

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 1RV B 301
ChainResidue
BSER61
BGLY65
BGLY66
BLEU67
BASP161
BHIS162
BTHR59
BASP60

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE 1RV C 301
ChainResidue
CASP60
CSER61
CGLY65
CGLY66
CASP161
CHIS162
CGLY163

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 Residues15
DetailsACT_SITE:
ChainResidueDetails
ACYS25
DCYS25
DHIS162
DASN182
ECYS25
EHIS162
EASN182
AHIS162
AASN182
BCYS25
BHIS162
BASN182
CCYS25
CHIS162
CASN182

site_idSWS_FT_FI2
Number of Residues5
DetailsSITE: Cleavage; by autolysis => ECO:0000269|PubMed:1559982
ChainResidueDetails
AGLY215
BGLY215
CGLY215
DGLY215
EGLY215

site_idSWS_FT_FI3
Number of Residues10
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN47
EASN170
AASN170
BASN47
BASN170
CASN47
CASN170
DASN47
DASN170
EASN47

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PDB entries from 2024-07-24

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