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4CRF

Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1435
ChainResidue
APHE83
AASN113
AGLN118
ALYS192

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE GOL A 1436
ChainResidue
AARG37
AR9B1438

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1437
ChainResidue
AR9B1438
AHOH2054
AHOH2086
AALA115
ASER214
ATRP215

site_idAC4
Number of Residues23
DetailsBINDING SITE FOR RESIDUE R9B A 1438
ChainResidue
AHIS38
ALEU39
AHIS57
ATYR143
AILE151
AASP189
AALA190
ACYS191
ALYS192
AGLY193
AASP194
ASER195
ATHR213
ASER214
ATRP215
AGLY216
AGLY218
ACYS219
AVAL227
AGOL1436
AGOL1437
AHOH2017
AHOH2019

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1439
ChainResidue
ATHR20
AALA21
AGLN48
AGLN86

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1440
ChainResidue
ALYS202
ATRP203
AHOH2009
AHOH2010

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1441
ChainResidue
ALYS127
ALYS127
ALYS127
AARG130
AARG130
AARG130

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1442
ChainResidue
AGLY25
ATRP27
APRO28
AILE71
ASER117

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 1443
ChainResidue
AGLU76
ATYR172
AGLY173
AHIS174
AARG224

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC
ChainResidueDetails
ALEU53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DAckGDSGGPLS
ChainResidueDetails
AASP189-SER198

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 Residues1
DetailsBINDING:
ChainResidueDetails
ALYS170

site_idSWS_FT_FI3
Number of Residues1
DetailsCARBOHYD: N-linked (GlcNAc...) (complex) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:25092234
ChainResidueDetails
AASN73

site_idSWS_FT_FI4
Number of Residues1
DetailsCARBOHYD: N-linked (GlcNAc...) (complex) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:1998667, ECO:0000269|PubMed:25092234
ChainResidueDetails
AASN113

218500

数据于2024-04-17公开中

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