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4CRB

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 Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 1483
ChainResidue
AARG37
A7P01485
AHOH2119

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1484
ChainResidue
AHOH2108
AHIS57
ASER214
ATRP215
A7P01485
AHOH2035
AHOH2104

site_idAC3
Number of Residues25
DetailsBINDING SITE FOR RESIDUE 7P0 A 1485
ChainResidue
AHIS38
ALEU39
AHIS57
ATYR143
AILE151
AASP189
AALA190
ACYS191
ALYS192
AGLY193
AASP194
ASER195
ATHR213
ATRP215
AGLY216
AGLY218
ACYS219
AGLY226
AVAL227
AGOL1483
AGOL1484
AHOH2025
AHOH2027
AHOH2104
AHOH2121

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1486
ChainResidue
ATHR20
AALA21
AGLN48
AGLN86
AARG144

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1487
ChainResidue
ALYS202
ATRP203
AHOH2010

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A 1488
ChainResidue
ALYS127
ALYS127
ALYS127
AARG130
AARG130
AARG130
AHOH2122
AHOH2122
AHOH2122

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1489
ChainResidue
ATYR184
AARG185
AGLU186

Functional Information from PROSITE/UniProt
site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DAckGDSGGPLS
ChainResidueDetails
AASP189-SER198

site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC
ChainResidueDetails
ALEU53-CYS58

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

PDB entries from 2024-04-17

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