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1Y5U

Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant

Functional Information from GO Data
ChainGOidnamespacecontents
T0004175molecular_functionendopeptidase activity
T0004252molecular_functionserine-type endopeptidase activity
T0005515molecular_functionprotein binding
T0005576cellular_componentextracellular region
T0005615cellular_componentextracellular space
T0006508biological_processproteolysis
T0007586biological_processdigestion
T0008236molecular_functionserine-type peptidase activity
T0046872molecular_functionmetal ion binding
T0097180cellular_componentserine protease inhibitor complex
T0097655molecular_functionserpin family protein binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA T 9
ChainResidue
TGLU70
TASN72
TVAL75
TGLU80
THOH9200
THOH9201

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 T 3022
ChainResidue
TSER195
TTL4360
THOH9050
THOH9056
THOH9179
THIS57
TGLN192
TGLY193

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 T 3023
ChainResidue
TLYS87
TLYS107
TTHR149
TGLN192
THOH9084
THOH9136
THOH9154

site_idAC4
Number of Residues19
DetailsBINDING SITE FOR RESIDUE TL4 T 360
ChainResidue
TGLU97
TTHR98
TTYR99
TSER127
TCYS128
TGLN175
TASP189
TSER190
TCYS191
TSER195
TTRP215
TGLY216
TGLY219
TCYS220
TGLY226
TSO43022
THOH9056
THOH9139
THOH9162

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE IMD T 12
ChainResidue
TTYR20
TCYS22
TTHR26
TVAL27
TSER116
TLEU137

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL T 2010
ChainResidue
TVAL76
TGLU80
TGLN81
TPHE82

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE PEG T 501
ChainResidue
TARG66
TILE73
TASN74
TVAL75
TVAL76
TPHE82
TVAL90
THIS91
TPRO92
THOH9029
THOH9200
THOH9210

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VSAAHC
ChainResidueDetails
TVAL53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DScqGDSGGPVV
ChainResidueDetails
TASP189-VAL200

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Charge relay system
ChainResidueDetails
TLYS60
TLEU105
TPRO198

site_idSWS_FT_FI2
Number of Residues7
DetailsBINDING:
ChainResidueDetails
TILE73
TVAL75
TGLY78
TILE83
TGLN192
TSER195
TPRO198

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
TASP102
THIS57

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
TSER195
TGLY196

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
TSER195
TGLY193

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
TASP102
TSER195
THIS57

site_idCSA5
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
TASP102
TSER195
TGLY193
THIS57

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
TASP102
TSER195
THIS57
TGLY196

225946

PDB entries from 2024-10-09

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