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1F29

CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I)

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 VS1 A 300
ChainResidue
AGLN19
AALA136
ALEU157
AASP158
AHIS159
ATRP177
AHOH349
AGLY23
ACYS25
ATRP26
ACYS63
AGLY65
AGLY66
ALEU67
AALA133

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE VS1 B 300
ChainResidue
BGLN19
BGLY23
BCYS25
BTRP26
BCYS63
BGLY65
BGLY66
BLEU67
BALA133
BALA136
BLEU157
BASP158
BHIS159
BTRP177
BHOH349

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE VS1 C 300
ChainResidue
CGLN19
CGLY23
CCYS25
CTRP26
CCYS63
CGLY65
CGLY66
CLEU67
CALA133
CALA136
CLEU157
CASP158
CHIS159
CTRP177
CHOH349

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
ALEU157-ASN167

site_idPS00640
Number of Residues20
DetailsTHIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. YWIiKNSWttqWGeeGYIrI
ChainResidueDetails
ATYR170-ILE189

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues9
DetailsACT_SITE:
ChainResidueDetails
ACYS25
AHIS159
AASN175
BCYS25
BHIS159
BASN175
CCYS25
CHIS159
CASN175

site_idSWS_FT_FI2
Number of Residues3
DetailsSITE: Cleavage; by autolysis => ECO:0000269|PubMed:1559982
ChainResidueDetails
AGLY212
BGLY212
CGLY212

site_idSWS_FT_FI3
Number of Residues6
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN47
AASN167
BASN47
BASN167
CASN47
CASN167

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AASN175
ACYS25
AHIS159

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BASN175
BCYS25
BHIS159

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CASN175
CCYS25
CHIS159

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AGLN19
ACYS25
AHIS159

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BGLN19
BCYS25
BHIS159

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CGLN19
CCYS25
CHIS159

site_idCSA7
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AASN175
AGLN19
AHIS159

site_idCSA8
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BASN175
BGLN19
BHIS159

site_idCSA9
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CASN175
CGLN19
CHIS159

223532

PDB entries from 2024-08-07

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