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4ABA

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
A0008233molecular_functionpeptidase activity
A0008236molecular_functionserine-type peptidase activity
A0016787molecular_functionhydrolase 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
AHOH2205
AHOH2280
AHOH2286
AHOH2296

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A 1247
ChainResidue
ALEU99
ALYS159
AGLN175
ADMS1255
AHOH2292
AHOH2354
AHOH2357
AASN97
ATHR98

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1248
ChainResidue
AHIS57
AGLN192
AGLY193
ASER195
ASW11256
AHOH2058
AHOH2327

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 1249
ChainResidue
AGLU70
AASN72
AVAL75
AGLU80
AHOH2122
AHOH2123

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1250
ChainResidue
AVAL76
APHE82
AHOH2150
AHOH2152
AHOH2355
AHOH2356

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1251
ChainResidue
AARG66
AILE73
AVAL76
AVAL90
AHIS91
APRO92
AHOH2123
AHOH2166

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1252
ChainResidue
ATYR39
AHIS40
AILE73
AASN74
AILE89
AVAL90
AHOH2047
AHOH2163

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1253
ChainResidue
ACYS128
AALA129
APHE181
AGLN210
ALYS230
AHOH2223
AHOH2272
AHOH2326

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS A 1254
ChainResidue
AASN95
ASER96
AASN97
AHOH2170
AHOH2356

site_idBC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE DMS A 1255
ChainResidue
ATYR20
ACYS22
ATHR26
AASN97
AGLN175
ASO41247
AHOH2033
AHOH2182
AHOH2292
AHOH2357

site_idBC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE SW1 A 1256
ChainResidue
AASP189
ASER190
AGLN192
ASER195
ASER202
AVAL213
AGLY216
AGLY219
ASO41248
AHOH2287
AHOH2331

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

218853

PDB entries from 2024-04-24

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