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3GY7

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
AHOH275
AHOH279

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE BEN A 1
ChainResidue
ASER195
AVAL213
AGLY219
AGLY226
ASO4249
AHOH280
AHOH455
AASP189
ASER190
AGLN192

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 246
ChainResidue
AASN95
ATHR98
AASN100
AHOH374
AHOH436
AHOH473

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 2
ChainResidue
AEDO3
AASN97
ALEU99
ALYS159
ATRP215
AHOH381
AHOH468

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 3
ChainResidue
AEDO2
AGLN135
ALEU137
ALYS159
AHOH259
AHOH344
AHOH453
AHOH475

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 4
ChainResidue
AALA129
AASP165
APHE181
ALYS230
AHOH327
AHOH425
AHOH441

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 248
ChainResidue
ALYS87
ALYS107
ATHR149
ATYR151
AHOH297
AHOH319
AHOH411
AHOH445

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 249
ChainResidue
ABEN1
AHIS57
AGLN192
AGLY193
ASER195
AHOH328
AHOH447

site_idAC9
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 A 250
ChainResidue
APRO124
ATHR125
ASER127
ASER147
AGLY148
ALYS204
AHOH205
AHOH336
AHOH429
AHOH434

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 251
ChainResidue
ALYS145
ASER146
ASER147

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 5
ChainResidue
ASO46
ATHR177
ASER178
AHOH405
AHOH435

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 6
ChainResidue
ASO45
ASER178
AASN179
AHOH390
AHOH405
AHOH451

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 7
ChainResidue
APRO173
AGLY174
AHOH302
AHOH361
AHOH403

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
AVAL75
AGLU80
AASP189
AGLN192
ASER195
AASN72

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PDB entries from 2024-06-12

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