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4DMY

Cathepsin K inhibitor

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 Residues18
DetailsBINDING SITE FOR RESIDUE 0LC A 301
ChainResidue
AGLN19
AGLY65
AGLY66
ATYR67
AASN70
AALA134
AASN161
ALYS191
AHOH561
AHOH599
AGLY23
ASER24
ACYS25
ATRP26
AGLU59
AASN60
AASP61
AGLY64

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 302
ChainResidue
ALYS122
ALYS176
AARG198
AASN199
AHOH402

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 303
ChainResidue
AALA1
ALYS119
ALYS122
AARG123
AHOH644
BARG108

site_idAC4
Number of Residues19
DetailsBINDING SITE FOR RESIDUE 0LC B 301
ChainResidue
BARG8
BGLN19
BGLY23
BCYS25
BTRP26
BGLU59
BASN60
BASP61
BGLY64
BGLY65
BGLY66
BTYR67
BASN70
BALA134
BLEU160
BASN161
BHOH575
BHOH585
BHOH586

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 302
ChainResidue
BLYS119
BLYS122
BLYS176
BARG198
BASN199
BHOH451
BHOH626

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 303
ChainResidue
BALA1
BLYS119
BLYS122
BARG123

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 304
ChainResidue
ASER154
AHOH650
BASN18
BGLY185
BGLU186
BASN187
BHOH437
BHOH512

Functional Information from PROSITE/UniProt
site_idPS00139
Number of Residues12
DetailsTHIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QGqCGSCWAfSS
ChainResidueDetails
AGLN19-SER30

site_idPS00639
Number of Residues11
DetailsTHIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. LNHAVLAVGYG
ChainResidueDetails
ALEU160-GLY170

site_idPS00640
Number of Residues20
DetailsTHIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. HWIiKNSWgenWGnkGYIlM
ChainResidueDetails
AHIS177-MET196

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
ACYS25
AHIS162
AASN182
BCYS25
BHIS162
BASN182

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PDB entries from 2024-10-16

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