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4AB8

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
AHIS57
AGLN192
AGLY193
ASER195
AVXU1253
AHOH2043

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 1247
ChainResidue
AGLU80
AHOH2052
AHOH2053
AGLU70
AASN72
AVAL75

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1248
ChainResidue
AARG66
AILE73
AVAL76
AVAL90
AHIS91
APRO92
AHOH2052
AHOH2073

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1249
ChainResidue
ATYR39
AHIS40
AILE73
AASN74
AILE89
AVAL90
AHOH2026
AHOH2070

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1250
ChainResidue
AASN100
ASER110
AHOH2076
AHOH2158

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1251
ChainResidue
AVAL76
APHE82
AHOH2059
AHOH2065

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1252
ChainResidue
ACYS128
AALA129
APHE181
AGLN210
ACYS232
AHOH2145

site_idAC8
Number of Residues14
DetailsBINDING SITE FOR RESIDUE VXU A 1253
ChainResidue
AASP189
ASER190
ACYS191
AGLN192
ASER195
AVAL213
ATRP215
AGLY216
AGLY219
ACYS220
AGLY226
ASO41246
AHOH2130
AHOH2142

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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