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3GY3

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 1
ChainResidue
AHOH13
AHOH36
AGLU70
AASN72
AVAL75
AGLU80

site_idAC2
Number of Residues22
DetailsBINDING SITE FOR RESIDUE PNT A 246
ChainResidue
ATHR98
ALEU99
ASER127
ACYS128
ASER130
AGLN175
AASP189
ASER190
AGLN192
ASER195
ASER214
ATRP215
AGLY216
AGLY219
ACYS220
AGLY226
AHOH300
AHOH349
AHOH443
AHOH11
AHIS57
AASN97

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 247
ChainResidue
AEDO4
ACYS128
AALA129
AILE162
APHE181
AGLN210
ALYS230
ACYS232
AHOH249

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 2
ChainResidue
AVAL76
APHE82
AHOH312
AHOH334
AHOH382

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 3
ChainResidue
AASN100
ASER110
AALA111
AHOH342
AHOH366
AHOH419

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 4
ChainResidue
AALA132
AILE162
ALEU163
AASP165
APHE181
AEDO247
AHOH411

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 5
ChainResidue
AEDO6
AHOH36
AARG66
AVAL76
AVAL90
AHIS91
APRO92
AHOH280

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 6
ChainResidue
AEDO5
ATYR39
AHIS40
AILE73
AASN74
AVAL90
AHOH331
AHOH424

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 7
ChainResidue
ASER164
AASP165
ASER166
ASER244

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

222036

PDB entries from 2024-07-03

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