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2AYW

Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution

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 250
ChainResidue
AGLU70
AASN72
AVAL75
AGLU80
AHOH922
AHOH940

site_idAC2
Number of Residues25
DetailsBINDING SITE FOR RESIDUE ONO A 501
ChainResidue
AGLY133
ATYR151
AASP189
ASER190
AGLN192
AGLY193
ASER195
ASER214
ATRP215
AGLY216
AGLY219
ACYS220
AGLY226
AONO601
AHOH955
AHOH1024
AHOH1093
AHOH1095
AHOH1160
AHOH1214
AHOH1327
AHOH1330
AHIS40
AHIS57
AALA132

site_idAC3
Number of Residues17
DetailsBINDING SITE FOR RESIDUE ONO A 601
ChainResidue
ATYR20
ATHR21
AASN143
AGLY148
ALYS159
AGLN192
AGLY216
AONO501
ABEN801
AHOH956
AHOH997
AHOH1047
AHOH1063
AHOH1074
AHOH1105
AHOH1229
AHOH1247

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE BEN A 801
ChainResidue
AGLN135
AONO601
AHOH1000
AHOH1015
AHOH1092
AHOH1144
AHOH1159
AHOH1192
AHOH1248
AHOH1286

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE MES A 901
ChainResidue
AGLU80
AGLN81
ASER113
AHOH1077
AHOH1102
AHOH1142
AHOH1218
AHOH1264
AHOH1280

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL A 701
ChainResidue
AALA85
ASER86
ALYS87
ASER88
ATYR94
AASN95
AHOH918
AHOH992
AHOH1104
AHOH1137

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
ALYS60
ALEU105
APRO198

site_idSWS_FT_FI2
Number of Residues7
DetailsBINDING:
ChainResidueDetails
AILE73
AVAL75
AGLY78
AILE83
AGLN192
ASER195
APRO198

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
AASP102
AHIS57

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
ASER195
AGLY196

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
ASER195
AGLY193

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
AASP102
ASER195
AHIS57

site_idCSA5
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
AASP102
ASER195
AGLY193
AHIS57

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
AASP102
ASER195
AHIS57
AGLY196

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PDB entries from 2024-07-24

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