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2HH5

Crystal Structure of Cathepsin S in complex with a Zinc mediated 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 Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 601
ChainResidue
BCYS25
BHIS164
BGNQ501
BCL801

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 602
ChainResidue
BASP139
BHIS142
BHOH882
BHOH933

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 603
ChainResidue
BGLU15
BHIS188
BGLU193
AASP173

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 701
ChainResidue
ACYS25
AHIS164
AGNQ401
ACL802

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 702
ChainResidue
AASP139
AHIS142
AHOH803
AHOH940

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ZN A 703
ChainResidue
AASP3
AHOH864
AHOH926

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL B 801
ChainResidue
BGLN19
BCYS25
BHIS164
BTRP186
BGNQ501
BZN601

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 802
ChainResidue
AGLN19
ACYS25
AHIS164
ATRP186
AGNQ401
AZN701

site_idAC9
Number of Residues24
DetailsBINDING SITE FOR RESIDUE GNQ A 401
ChainResidue
ACYS25
ATRP26
AGLY62
ALYS64
AGLY68
AGLY69
APHE70
AALA140
AARG141
AHIS142
ATYR154
AVAL162
AASN163
AHIS164
AGLY165
ATRP186
APHE211
AZN701
ACL802
AHOH892
BHIS142
BPRO143
BPHE146
BGNQ501

site_idBC1
Number of Residues24
DetailsBINDING SITE FOR RESIDUE GNQ B 501
ChainResidue
AHIS142
APRO143
APHE146
AGNQ401
BCYS25
BTRP26
BGLY62
BLYS64
BASN67
BGLY68
BGLY69
BPHE70
BALA140
BARG141
BHIS142
BTYR154
BVAL162
BASN163
BHIS164
BGLY165
BTRP186
BPHE211
BZN601
BCL801

Functional Information from PROSITE/UniProt
site_idPS00139
Number of Residues12
DetailsTHIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QGsCGACWAfSA
ChainResidueDetails
BGLN19-ALA30

site_idPS00639
Number of Residues11
DetailsTHIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. VNHGVLVVGYG
ChainResidueDetails
BVAL162-GLY172

site_idPS00640
Number of Residues20
DetailsTHIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. YWLvKNSWghnFGeeGYIrM
ChainResidueDetails
BTYR179-MET198

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

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BHIS164
BCYS25
BASN184

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AHIS164
ACYS25
AASN184

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BHIS164
BGLN19
BCYS25

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
BASN184

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AHIS164
AGLN19
AASN184

site_idCSA7
Number of Residues4
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BHIS164
BGLN19
BCYS25
BASN184

site_idCSA8
Number of Residues4
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AHIS164
AGLN19
ACYS25
AASN184

site_idMCSA1
Number of Residues4
DetailsM-CSA 814
ChainResidueDetails
BGLN19electrostatic stabiliser
BCYS25nucleofuge, nucleophile, proton acceptor, proton donor
BHIS164proton acceptor, proton donor
BASN184electrostatic stabiliser

site_idMCSA2
Number of Residues4
DetailsM-CSA 814
ChainResidueDetails
AGLN19electrostatic stabiliser
ACYS25nucleofuge, nucleophile, proton acceptor, proton donor
AHIS164proton acceptor, proton donor
AASN184electrostatic stabiliser

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PDB entries from 2024-08-28

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