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4ABB

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 Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1246
ChainResidue
ALYS169
APRO173
AGLY174
AHOH2201
AHOH2277
AHOH2282
AHOH2291

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 1247
ChainResidue
AVAL75
AGLU80
AHOH2118
AHOH2119
AGLU70
AASN72

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1248
ChainResidue
AVAL76
APHE82
AHOH2145
AHOH2147
AHOH2348
AHOH2349

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1249
ChainResidue
AARG66
AILE73
AASN74
AVAL76
AHIS91
APRO92
AHOH2119
AHOH2162

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1250
ChainResidue
ASER49
AALA112
ASER113
ALEU114

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS A 1251
ChainResidue
AASN95
ASER96
AASN97
AHOH2167
AHOH2349

site_idAC7
Number of Residues10
DetailsBINDING SITE FOR RESIDUE K9S A 1252
ChainResidue
AASP189
ASER190
ACYS191
AGLN192
ASER195
AGLY216
AGLY219
AGLY226
AHOH2311
AHOH2312

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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