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6EAT

Crystallographic structure of the cyclic nonapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21.

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 Residues6
Detailsbinding site for residue CA A 301
ChainResidue
AGLU70
AASN72
AVAL75
AGLU80
AHOH427
AHOH521

site_idAC2
Number of Residues6
Detailsbinding site for residue SO4 A 302
ChainResidue
AHOH408
AHOH430
AHOH609
ASER164
AASP165
AHOH405

site_idAC3
Number of Residues5
Detailsbinding site for residue SO4 A 303
ChainResidue
ALYS169
APRO173
AGLY174
AHOH486
AHOH551

site_idAC4
Number of Residues7
Detailsbinding site for residue SO4 A 304
ChainResidue
APRO152
AASP153
AVAL154
ALYS156
AHOH481
AHOH544
AHOH649

site_idAC5
Number of Residues3
Detailsbinding site for residue SO4 A 305
ChainResidue
ASER110
AHOH545
AHOH591

site_idAC6
Number of Residues6
Detailsbinding site for residue SO4 A 306
ChainResidue
AILE47
AASN48
ALEU123
AILE238
AILE242
AHOH629

site_idAC7
Number of Residues6
Detailsbinding site for residue SO4 A 307
ChainResidue
AASN95
ATHR98
AASN100
AHOH456
AHOH495
AHOH527

site_idAC8
Number of Residues9
Detailsbinding site for residue SO4 A 308
ChainResidue
ACYS128
AALA129
ASER130
ATHR134
ASER202
AHOH409
AHOH413
AHOH421
AHOH437

site_idAC9
Number of Residues4
Detailsbinding site for residue SO4 A 309
ChainResidue
ALYS145
ASER146
ASER147
AHOH647

site_idAD1
Number of Residues6
Detailsbinding site for residue SO4 A 310
ChainResidue
ATHR144
ALYS156
AHOH407
AHOH439
AHOH449
AHOH511

site_idAD2
Number of Residues6
Detailsbinding site for residue SO4 A 311
ChainResidue
ASER217
AGLY219
AHOH410
AHOH411
ICYS1
IHOH107

site_idAD3
Number of Residues9
Detailsbinding site for residue SO4 A 312
ChainResidue
AARG66
APHE82
ASER166
ASER167
ASER170
AHOH402
AHOH489
AHOH493
AHOH642

site_idAD4
Number of Residues6
Detailsbinding site for residue SO4 A 313
ChainResidue
ACYS232
AASN233
ATYR234
AVAL235
ASER236
AHOH589

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 Residues1
DetailsSITE: Reactive bond for trypsin
ChainResidueDetails
ILYS3
AASP102
ASER195

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

218853

PDB entries from 2024-04-24

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