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2FUD

Human Cathepsin S with Inhibitor CRA-27566

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 Residues13
DetailsBINDING SITE FOR RESIDUE CRL A 999
ChainResidue
AGLN19
AGLY133
AVAL157
AASN158
AHOH9288
AGLY23
ACYS25
ATRP26
AGLY59
AASN64
AGLY65
AGLY66
APHE67

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE CRL B 998
ChainResidue
AHOH9346
BGLN19
BGLY23
BCYS25
BTRP26
BLYS61
BASN64
BGLY65
BGLY66
BPHE67
BGLY133
BVAL157
BASN158
BHOH9377

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

site_idPS00639
Number of Residues11
DetailsTHIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. VNHGVLVVGYG
ChainResidueDetails
AVAL157-GLY173

site_idPS00640
Number of Residues20
DetailsTHIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. YWLvKNSWghnFGeeGYIrM
ChainResidueDetails
ATYR6174-MET199

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
ATRP26
AGLY160
ASER176
BTRP26
BGLY160
BSER176

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
AGLN19
ACYS25
AHIS159

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BGLN19
BCYS25
BHIS159

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AASN175
AGLN19
AHIS159

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BASN175
BGLN19
BHIS159

site_idMCSA1
Number of Residues4
DetailsM-CSA 814
ChainResidueDetails
AGLY20electrostatic stabiliser
ATRP26nucleofuge, nucleophile, proton acceptor, proton donor
AGLY160proton acceptor, proton donor
ASER176electrostatic stabiliser

site_idMCSA2
Number of Residues4
DetailsM-CSA 814
ChainResidueDetails
BGLY20electrostatic stabiliser
BTRP26nucleofuge, nucleophile, proton acceptor, proton donor
BGLY160proton acceptor, proton donor
BSER176electrostatic stabiliser

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PDB entries from 2024-07-10

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