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5QCH

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
C0006508biological_processproteolysis
C0008234molecular_functioncysteine-type peptidase activity
D0006508biological_processproteolysis
D0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues10
Detailsbinding site for residue SO4 A 801
ChainResidue
AGLN19
AHOH1068
AGLY23
AALA24
ASER25
AASN163
AHIS164
ABJS802
AHOH958
AHOH971

site_idAC2
Number of Residues16
Detailsbinding site for residue BJS A 802
ChainResidue
APHE70
ATHR73
AALA140
AARG141
AASN161
AVAL162
AASN163
AHIS164
AGLY165
APHE211
ASO4801
AHOH901
AHOH978
CLYS41
CTHR42
DTYR118

site_idAC3
Number of Residues11
Detailsbinding site for residue SO4 B 801
ChainResidue
BGLN19
BGLY23
BALA24
BSER25
BASN163
BHIS164
BBJS803
BHOH906
BHOH911
BHOH982
BHOH1009

site_idAC4
Number of Residues8
Detailsbinding site for residue GOL B 802
ChainResidue
BLEU38
BTHR42
BALA108
BTHR109
BILE217
DARG141
DPRO143
DPHE146

site_idAC5
Number of Residues18
Detailsbinding site for residue BJS B 803
ChainResidue
BPHE70
BTHR73
BALA140
BARG141
BASN161
BVAL162
BASN163
BHIS164
BGLY165
BPHE211
BSO4801
BHOH913
BHOH914
BHOH959
BHOH1031
CTYR118
DLYS41
DTHR42

site_idAC6
Number of Residues11
Detailsbinding site for residue SO4 C 801
ChainResidue
CGLN19
CGLY23
CALA24
CSER25
CASN163
CHIS164
CBJS802
CHOH911
CHOH992
CHOH1019
CHOH1023

site_idAC7
Number of Residues17
Detailsbinding site for residue BJS C 802
ChainResidue
ALYS41
ATHR42
BTYR118
CPHE70
CTHR73
CALA140
CARG141
CASN161
CVAL162
CASN163
CHIS164
CGLY165
CPHE211
CSO4801
CHOH914
CHOH930
CHOH1021

site_idAC8
Number of Residues10
Detailsbinding site for residue SO4 D 801
ChainResidue
DHOH918
DHOH935
DGLN19
DGLY23
DALA24
DSER25
DASN163
DHIS164
DBJS803
DHOH907

site_idAC9
Number of Residues8
Detailsbinding site for residue GOL D 802
ChainResidue
BARG141
BPRO143
BPHE146
DLEU38
DTHR42
DALA108
DTHR109
DILE217

site_idAD1
Number of Residues18
Detailsbinding site for residue BJS D 803
ChainResidue
ATYR118
BLYS41
BTHR42
DPHE70
DTHR73
DALA140
DARG141
DASN161
DVAL162
DASN163
DHIS164
DGLY165
DPHE211
DSO4801
DHOH901
DHOH938
DHOH1003
DHOH1006

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 Residues12
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
ASER25
DSER25
DHIS164
DASN184
AHIS164
AASN184
BSER25
BHIS164
BASN184
CSER25
CHIS164
CASN184

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

site_idMCSA3
Number of Residues4
DetailsM-CSA 814
ChainResidueDetails
CGLN19electrostatic stabiliser
CSER25nucleofuge, nucleophile, proton acceptor, proton donor
CHIS164proton acceptor, proton donor
CASN184electrostatic stabiliser

site_idMCSA4
Number of Residues4
DetailsM-CSA 814
ChainResidueDetails
DGLN19electrostatic stabiliser
DSER25nucleofuge, nucleophile, proton acceptor, proton donor
DHIS164proton acceptor, proton donor
DASN184electrostatic stabiliser

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PDB entries from 2024-07-03

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