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2OZ2

Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (K11777)

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
C0006508biological_processproteolysis
C0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 402
ChainResidue
ATYR91
AALA92
ASER93
AGLY94

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 403
ChainResidue
ASER55
ALYS58
APRO100
ACYS101

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 407
ChainResidue
CASN80
AARG195

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 C 409
ChainResidue
AHIS43
APRO44
CPRO2
CALA3
CHOH490
CHOH529

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 C 411
ChainResidue
AHIS43
APRO44
AHOH414
AHOH525
CARG10

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 C 413
ChainResidue
AARG10
AHOH493
CPRO44
CHOH445
CHOH467

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 C 414
ChainResidue
CTHR102
CTHR103
CSER104
CHOH486

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 C 415
ChainResidue
ALYS206
CGLY105

site_idAC9
Number of Residues17
DetailsBINDING SITE FOR RESIDUE D1R C 300
ChainResidue
AASP161
CGLN19
CGLY23
CCYS25
CTRP26
CSER61
CCYS63
CGLY65
CGLY66
CLEU67
CALA138
CMET145
CLEU160
CASP161
CHIS162
CTRP184
CHOH465

site_idBC1
Number of Residues19
DetailsBINDING SITE FOR RESIDUE D1R A 301
ChainResidue
AGLN19
AGLY23
ACYS25
ATRP26
ASER61
ACYS63
AGLY65
AGLY66
ALEU67
AMET68
AALA138
AMET145
ALEU160
AASP161
AHIS162
ATRP184
AGLU208
AHOH420
CASP161

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
CCYS25
CHIS162
CASN182

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Cleavage; by autolysis => ECO:0000269|PubMed:1559982
ChainResidueDetails
AGLY215
CGLY215

site_idSWS_FT_FI3
Number of Residues4
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN47
AASN170
CASN47
CASN170

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AASN182
ACYS25
AHIS162

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CASN182
CCYS25
CHIS162

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AGLN19
ACYS25
AHIS162

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CGLN19
CCYS25
CHIS162

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AASN182
AGLN19
AHIS162

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CASN182
CGLN19
CHIS162

223790

PDB entries from 2024-08-14

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