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4P6G

Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor.

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
D0006508biological_processproteolysis
D0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues17
Detailsbinding site for residue 2FZ A 301
ChainResidue
ACYS25
AHIS164
AGLY165
APHE211
AHOH404
AHOH595
DSER4
DASP6
DGLU9
ATRP26
ALYS64
AASN67
AGLY68
AGLY69
APHE70
AMET71
AASN163

site_idAC2
Number of Residues17
Detailsbinding site for residue 2FZ B 301
ChainResidue
BCYS25
BTRP26
BLYS64
BASN67
BGLY68
BGLY69
BPHE70
BMET71
BVAL162
BASN163
BHIS164
BGLY165
BPHE211
BHOH559
BHOH564
CSER4
CGLU9

site_idAC3
Number of Residues16
Detailsbinding site for residue 2FZ C 301
ChainResidue
BGLU9
BHOH499
CCYS25
CTRP26
CGLY62
CLYS64
CASN67
CGLY68
CGLY69
CPHE70
CMET71
CASN163
CHIS164
CGLY165
CPHE211
CHOH557

site_idAC4
Number of Residues15
Detailsbinding site for residue 2FZ D 301
ChainResidue
AGLU9
DCYS25
DTRP26
DGLY62
DLYS64
DASN67
DGLY68
DGLY69
DPHE70
DMET71
DASN163
DHIS164
DGLY165
DPHE211
DHOH503

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 Residues12
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
ACYS25
DCYS25
DHIS164
DASN184
AHIS164
AASN184
BCYS25
BHIS164
BASN184
CCYS25
CHIS164
CASN184

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

site_idMCSA3
Number of Residues4
DetailsM-CSA 814
ChainResidueDetails
CGLN19electrostatic stabiliser
CCYS25nucleofuge, nucleophile, proton acceptor, proton donor
CHIS164proton acceptor, proton donor
CASN184electrostatic stabiliser

site_idMCSA4
Number of Residues4
DetailsM-CSA 814
ChainResidueDetails
DGLN19electrostatic stabiliser
DCYS25nucleofuge, nucleophile, proton acceptor, proton donor
DHIS164proton acceptor, proton donor
DASN184electrostatic stabiliser

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PDB entries from 2024-10-09

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