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2HXZ

Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup)

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 Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A 801
ChainResidue
AARG141
AHIS142
ASER157
AHOH881
AHOH898
AHOH928
AHOH947
AHOH1015
BSER157

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE H7J A 811
ChainResidue
AGLN19
AGLY23
AALA24
ACYS25
ATRP26
AGLY62
AASN67
AGLY68
AGLY69
APHE70
APHE146
AASN163
AHIS164
AGLY165
AHOH910
BTYR154

site_idAC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE H7J B 821
ChainResidue
BGLN19
BGLY23
BALA24
BCYS25
BTRP26
BGLY62
BASN67
BGLY68
BGLY69
BPHE70
BASN163
BHIS164
BGLY165
BHOH895
BHOH998
CLEU147

site_idAC4
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H7J C 831
ChainResidue
ATYR154
CGLN19
CGLY23
CALA24
CCYS25
CTRP26
CGLY62
CASN67
CGLY68
CGLY69
CPHE70
CASN163
CHIS164
CGLY165
CHOH859

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 Residues9
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
ACYS25
AHIS164
AASN184
BCYS25
BHIS164
BASN184
CCYS25
CHIS164
CASN184

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AHIS164
ACYS25
AASN184

site_idCSA10
Number of Residues4
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AHIS164
AGLN19
ACYS25
AASN184

site_idCSA11
Number of Residues4
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BHIS164
BGLN19
BCYS25
BASN184

site_idCSA12
Number of Residues4
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CHIS164
CGLN19
CCYS25
CASN184

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BHIS164
BCYS25
BASN184

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CHIS164
CCYS25
CASN184

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AHIS164
AGLN19
ACYS25

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BHIS164
BGLN19
BCYS25

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CHIS164
CGLN19
CCYS25

site_idCSA7
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AHIS164
AGLN19
AASN184

site_idCSA8
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BHIS164
BGLN19
BASN184

site_idCSA9
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CHIS164
CGLN19
CASN184

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

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PDB entries from 2024-07-17

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