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2HHN

Cathepsin S in complex with non covalent arylaminoethyl amide.

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 Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 601
ChainResidue
AARG-1
AARG120
AASP122
AVAL123
AHOH1071
AHOH1090
AHOH1257
AHOH1265

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 603
ChainResidue
AGLY20
AHOH1082
AHOH1270
BLYS10
BHOH1139
ATYR18

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1001
ChainResidue
ATYR18
AGLY187
AHIS188
AHOH1088
AHOH1296
BLYS44

site_idAC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE SO4 A 1002
ChainResidue
ASER103
ASER103
AARG106
AARG106
AHOH1031
AHOH1096
AHOH1123
AHOH1123
AHOH1205
AHOH1205
AHOH1210

site_idAC5
Number of Residues15
DetailsBINDING SITE FOR RESIDUE GNQ B 901
ChainResidue
BGLY23
BCYS25
BTRP26
BGLY62
BASN67
BGLY68
BGLY69
BPHE70
BMET71
BGLY137
BVAL162
BASN163
BHIS164
BPHE211
BHOH1086

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
AVAL162-GLY172

site_idPS00640
Number of Residues20
DetailsTHIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. YWLvKNSWghnFGeeGYIrM
ChainResidueDetails
ATYR179-MET198

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
ACYS25
AHIS164
AASN184
BCYS25
BHIS164
BASN184

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 814
ChainResidueDetails
AGLN19electrostatic stabiliser
ACYS25nucleofuge, nucleophile, proton acceptor, proton donor
AHIS164proton acceptor, proton donor
AASN184electrostatic stabiliser

site_idMCSA2
Number of Residues4
DetailsM-CSA 814
ChainResidueDetails
BGLN19electrostatic stabiliser
BCYS25nucleofuge, nucleophile, proton acceptor, proton donor
BHIS164proton acceptor, proton donor
BASN184electrostatic stabiliser

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PDB entries from 2024-04-24

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