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3IUT

The Crystal Structure of Cruzain in Complex with a Tetrafluorophenoxymethyl Ketone Inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE KB2 A 300
ChainResidue
AGLN19
ALEU67
AASP161
AHIS162
AGLY163
AHOH265
AGLY23
ASER24
ACYS25
ATRP26
ASER61
ASER64
AGLY65
AGLY66

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 222
ChainResidue
ATHR103
ASER104
AGLY105
AHIS106
AGLY149
AVAL151
AHOH228

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 223
ChainResidue
ATHR14
ATYR193
AHOH304

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 224
ChainResidue
ACYS101
ATHR102
ATHR103
ASER104
ATHR146
AHOH243
AHOH246

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 225
ChainResidue
AASP18
AGLY20
ATRP184

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 Residues3
DetailsACT_SITE:
ChainResidueDetails
ACYS25
AHIS162
AASN182

site_idSWS_FT_FI2
Number of Residues1
DetailsSITE: Cleavage; by autolysis => ECO:0000269|PubMed:1559982
ChainResidueDetails
AGLY215

site_idSWS_FT_FI3
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN47
AASN170

222415

PDB entries from 2024-07-10

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