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4X6I

Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors.

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues14
Detailsbinding site for residue 3Y1 A 301
ChainResidue
ACYS25
ALEU160
AASN161
ASO4302
AHOH449
AHOH466
ATRP26
AGLU59
AASP61
AGLY64
AGLY65
AGLY66
ATYR67
AALA134

site_idAC2
Number of Residues7
Detailsbinding site for residue SO4 A 302
ChainResidue
AGLU59
ATYR67
AASN70
AASN187
A3Y1301
AHOH491
AHOH573

site_idAC3
Number of Residues6
Detailsbinding site for residue SO4 A 303
ChainResidue
AASN18
ALYS77
AGLY185
AGLU186
AASN187
AHOH483

site_idAC4
Number of Residues7
Detailsbinding site for residue SO4 A 304
ChainResidue
ALYS122
ALYS176
AARG198
AASN199
AHOH490
AHOH500
AHOH563

site_idAC5
Number of Residues4
Detailsbinding site for residue SO4 A 305
ChainResidue
AALA1
ALYS119
ALYS122
AARG123

site_idAC6
Number of Residues7
Detailsbinding site for residue SO4 A 306
ChainResidue
ATYR110
AARG111
AGLU112
ALYS147
AASN190
ALYS191
AHOH411

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 Residues3
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
ACYS25
AHIS162
AASN182

225158

PDB entries from 2024-09-18

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