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5QCA

Crystal structure of human Cathepsin-S with bound ligand

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 Residues19
Detailsbinding site for residue BGJ A 901
ChainResidue
AGLY23
AVAL162
AASN163
AHIS164
AGLY165
ASO4902
AHOH1107
AHOH1117
BGLU115
BTYR118
BHOH1046
AGLY62
ACYS66
AASN67
AGLY68
AGLY69
APHE70
AMET71
AASN161

site_idAC2
Number of Residues8
Detailsbinding site for residue SO4 A 902
ChainResidue
AGLN19
AGLY23
AALA24
ASER25
AASN163
AHIS164
ATRP186
ABGJ901

site_idAC3
Number of Residues2
Detailsbinding site for residue SO4 A 903
ChainResidue
ALYS177
AHOH1050

site_idAC4
Number of Residues6
Detailsbinding site for residue SO4 A 904
ChainResidue
ALYS125
AGLU178
AARG200
AASN201
AHOH1024
AHOH1090

site_idAC5
Number of Residues12
Detailsbinding site for residue BGJ B 901
ChainResidue
AGLU115
ATYR118
AHOH1136
BPHE70
BMET71
BASN161
BVAL162
BHIS164
BGLY165
BPHE211
BHOH1046
BHOH1087

site_idAC6
Number of Residues7
Detailsbinding site for residue SO4 B 902
ChainResidue
BGLN19
BGLY23
BALA24
BSER25
BASN163
BHIS164
BTRP186

Functional Information from PROSITE/UniProt
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
ASER25
AHIS164
AASN184
BSER25
BHIS164
BASN184

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 814
ChainResidueDetails
AGLN19electrostatic stabiliser
ASER25nucleofuge, nucleophile, proton acceptor, proton donor
AHIS164proton acceptor, proton donor
AASN184electrostatic stabiliser

site_idMCSA2
Number of Residues4
DetailsM-CSA 814
ChainResidueDetails
BGLN19electrostatic stabiliser
BSER25nucleofuge, nucleophile, proton acceptor, proton donor
BHIS164proton acceptor, proton donor
BASN184electrostatic stabiliser

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PDB entries from 2024-07-24

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