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4ABD

Fragments bound to bovine trypsin for the SAMPL challenge

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 SO4 A 1246
ChainResidue
ALYS169
APRO173
AGLY174
AHOH2166
AHOH2232
AHOH2236

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 1247
ChainResidue
ASER195
ASW21252
AHOH2047
AHOH2074
AHOH2297
AHIS57
AGLN192
AGLY193

site_idAC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 A 1248
ChainResidue
APRO124
ATHR125
ASER127
ASER146
ASER147
AGLY148
ALYS204
AHOH2178
AHOH2203
AHOH2266

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 1249
ChainResidue
AGLU70
AASN72
AVAL75
AGLU80
AHOH2099
AHOH2100

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1250
ChainResidue
AVAL76
AGLU80
APHE82
AHOH2115
AHOH2117
AHOH2299

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 1251
ChainResidue
AARG66
AILE73
AASN74
AVAL76
APHE82
AHIS91
APRO92
AHOH2100
AHOH2128

site_idAC7
Number of Residues13
DetailsBINDING SITE FOR RESIDUE SW2 A 1252
ChainResidue
AASP189
ASER190
AGLN192
ASER195
ASER202
ATRP215
AGLY216
AGLY219
ACYS220
ASO41247
AHOH2237
AHOH2264
AHOH2274

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DMS A 1253
ChainResidue
ALYS87
ALYS107
ASER130
ATHR149
ATYR151
AHOH2121
AHOH2185

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 2024-07-31

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