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4X6H

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 Residues21
Detailsbinding site for residue 3XT A 301
ChainResidue
AGLN19
ATYR67
AASN117
AGLU118
ALYS119
AALA134
AASN161
AASN199
AI37302
AHOH401
AHOH444
AGLY23
AHOH476
AHOH590
ASER24
ACYS25
ATRP26
AASP61
AGLY64
AGLY65
AGLY66

site_idAC2
Number of Residues11
Detailsbinding site for residue I37 A 302
ChainResidue
AGLY23
ACYS25
ATRP26
AGLY64
AGLY65
AGLY66
AASN117
AASN161
A3XT301
AHOH401
AHOH402

site_idAC3
Number of Residues8
Detailsbinding site for residue SO4 A 303
ChainResidue
ATYR67
AASN70
ALYS176
AASN187
AASN199
ASO4305
AHOH480
AHOH568

site_idAC4
Number of Residues4
Detailsbinding site for residue SO4 A 304
ChainResidue
AALA1
ALYS119
AARG123
ASO4305

site_idAC5
Number of Residues10
Detailsbinding site for residue SO4 A 305
ChainResidue
ATYR67
ALYS119
ALYS122
ALYS176
AARG198
AASN199
ASO4303
ASO4304
AHOH482
AHOH604

site_idAC6
Number of Residues10
Detailsbinding site for residue SO4 A 306
ChainResidue
AASN18
ALYS77
AGLY185
AGLU186
AASN187
AHOH406
AHOH412
AHOH446
AHOH506
AHOH521

site_idAC7
Number of Residues9
Detailsbinding site for residue SO4 A 307
ChainResidue
ATYR110
AARG111
AGLU112
ALYS147
AASN190
ALYS191
AHOH438
AHOH543
AHOH616

site_idAC8
Number of Residues7
Detailsbinding site for residue SO4 A 308
ChainResidue
AGLN76
AARG108
AGLY109
ATYR110
ALYS191
ALYS214
AHOH654

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

218853

PDB entries from 2024-04-24

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