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3GY2

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
AHOH10
AGLU70
AASN72
AVAL75
AGLU80
AHOH365

site_idAC2
Number of Residues17
DetailsBINDING SITE FOR RESIDUE BRN A 1
ChainResidue
ASER190
ACYS191
AGLN192
ASER195
ASER214
ATRP215
AGLY216
AGLY219
ACYS220
AGLY226
ASO4250
AHOH256
AHOH454
AHOH541
AHOH9
AHIS57
AASP189

site_idAC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE EDO A 246
ChainResidue
AEDO2
AHOH10
AARG66
AILE73
AASN74
AVAL76
AVAL90
AHIS91
APRO92
AHOH393

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 2
ChainResidue
ATYR39
AHIS40
AILE73
AASN74
AVAL90
AEDO246
AHOH375
AHOH446

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 3
ChainResidue
AEDO5
AHOH14
AVAL76
AGLU80
APHE82
AHOH378
AHOH406
AHOH463
AHOH479

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 4
ChainResidue
ALYS145
ASER146
ASER147

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 5
ChainResidue
AEDO3
AVAL76
AASN95
ASER96
AASN97
AHOH364
AHOH406
AHOH443

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 6
ChainResidue
ATYR20
ACYS22
ATHR26
AASN97
AHOH427
AHOH487

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 248
ChainResidue
ALYS169
APRO173
AGLY174
AHOH377
AHOH422
AHOH510

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 249
ChainResidue
ALYS87
ALYS107
ATHR149
ATYR151
AHOH340
AHOH458
AHOH490

site_idBC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 250
ChainResidue
ABRN1
APHE41
ACYS42
AHIS57
AGLN192
AGLY193
ASER195
AHOH477

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 2024-07-24

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