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1BTZ

Episelection: novel KI ~nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface

Functional Information from GO Data
ChainGOidnamespacecontents
A0004175molecular_functionendopeptidase activity
A0004252molecular_functionserine-type endopeptidase activity
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0006508biological_processproteolysis
A0007586biological_processdigestion
A0008233molecular_functionpeptidase activity
A0008236molecular_functionserine-type peptidase activity
A0016787molecular_functionhydrolase activity
A0046872molecular_functionmetal ion binding
A0097180cellular_componentserine protease inhibitor complex
A0097655molecular_functionserpin family protein binding
Functional Information from PDB Data
site_idAC1
Number of Residues20
DetailsBINDING SITE FOR RESIDUE 0ZY A 732
ChainResidue
APHE41
AHIS57
ALEU99
AGLN175
AASP189
ASER190
ACYS191
AGLN192
AGLY193
ASER195
ASER202
ASER214
ATRP215
AGLY216
ASER217
AHOH256
AHOH274
AHOH288
AHOH365
AHOH451

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 247
ChainResidue
AGLU70
AASN72
AVAL75
AGLU80
AHOH269
AHOH291

site_idBIN
Number of Residues10
DetailsSUBSTRATE BINDING SITE
ChainResidue
AGLY216
ASER217
AGLY219
ACYS220
AASP189
ASER190
ACYS191
AGLN192
ASER214
ATRP215

site_idCAT
Number of Residues3
DetailsACTIVE SITE, CATALYTIC TRIAD
ChainResidue
AHIS57
AASP189
ASER195

site_idION
Number of Residues11
DetailsCALCIUM BINDING SITE
ChainResidue
AGLU70
AASP71
AASN72
AILE73
AASN74
AVAL75
AVAL76
AGLU77
AGLY78
AASN79
AGLU80

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VSAAHC
ChainResidueDetails
AVAL53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DScqGDSGGPVV
ChainResidueDetails
AASP189-VAL200

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Charge relay system
ChainResidueDetails
ALYS60
ALEU105
APRO198

site_idSWS_FT_FI2
Number of Residues7
DetailsBINDING:
ChainResidueDetails
AILE73
AVAL75
AGLY78
AILE83
AGLN192
ASER195
APRO198

218853

PDB entries from 2024-04-24

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