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4ABG

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 CA A 1246
ChainResidue
AGLU70
AASN72
AVAL75
AGLU80
AHOH2048
AHOH2049

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 1247
ChainResidue
ACYS232
AASN233
ASER236

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 1248
ChainResidue
AHIS57
AGLN192
AGLY193
ASER195
A91B1255
AHOH2027
AHOH2040
AHOH2146

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1249
ChainResidue
AASN95
AASN100
ASER110
AALA111
AHOH2068
AHOH2075

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 1250
ChainResidue
AARG66
AILE73
AASN74
AVAL76
AVAL90
AHIS91
APRO92
AHOH2048
AHOH2067

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1251
ChainResidue
AALA129
AGLN210
AHOH2135

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1252
ChainResidue
AASP165
ASER166
ASER244

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1253
ChainResidue
AASN97
ATHR98
ASER127
AGLN175
ATRP215

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1254
ChainResidue
AASN34
AGLY38
ATYR39
AHIS40
AILE73
AASN74
AVAL90
AHOH2065

site_idBC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 91B A 1255
ChainResidue
AASP189
ASER190
ACYS191
ASER195
AGLY216
AGLY219
ACYS220
ASO41248
AHOH2118
AHOH2122

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 2024-07-17

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