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3GY4

A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC

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
A0008236molecular_functionserine-type peptidase activity
A0046872molecular_functionmetal ion binding
A0097180cellular_componentserine protease inhibitor complex
A0097655molecular_functionserpin family protein binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 247
ChainResidue
AGLU70
AASN72
AVAL75
AGLU80
AHOH502
AHOH516

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE PBZ A 1
ChainResidue
ASER195
ATRP215
AGLY216
AGLY219
ACYS220
AGLY226
AHOH512
AHOH515
ASO46
AASP189
ASER190

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 246
ChainResidue
AGLU80
AGLN81
APHE82
AHOH281

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 2
ChainResidue
AASN95
ATHR98
AASN100
AHOH439
AHOH572
AHOH573

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 3
ChainResidue
AARG117
ASER170
AHOH346
AHOH389
AHOH438

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 4
ChainResidue
ASER164
AASP165
ASER166
AHOH322
AHOH352
AHOH424

site_idAC7
Number of Residues10
DetailsBINDING SITE FOR RESIDUE EDO A 5
ChainResidue
AARG66
AILE73
AASN74
AVAL75
AVAL90
AHIS91
APRO92
AHOH272
AHOH387
AHOH516

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 248
ChainResidue
ALYS87
ALYS107
ATHR149
AHOH395
AHOH413
AHOH469
AHOH535
AHOH599

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A 249
ChainResidue
APRO124
ATHR125
ASER127
ASER147
AGLY148
ALYS204
AHOH378
AHOH450
AHOH488

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 250
ChainResidue
AHOH11
ALYS169
APRO173
AGLY174
AHOH438
AHOH473
AHOH481

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 251
ChainResidue
ALYS145
ASER146
ASER147
AHOH595

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 252
ChainResidue
ATHR177
ASER178
AHOH283
AHOH482
AHOH540

site_idBC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 A 6
ChainResidue
APBZ1
AHIS57
AGLN192
AGLY193
ASER195
AHOH383
AHOH394
AHOH455
AHOH483
AHOH548

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
AHIS57
AASP102
ASER195

site_idSWS_FT_FI2
Number of Residues7
DetailsBINDING:
ChainResidueDetails
AGLU70
AASN72
AVAL75
AGLU80
AASP189
AGLN192
ASER195

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PDB entries from 2024-11-06

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