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4CRD

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 Residues21
DetailsBINDING SITE FOR RESIDUE OTJ A 1244
ChainResidue
AARG37
AASP194
ASER195
ASER214
ATRP215
AGLY216
AGLY218
ACYS219
AGLY226
AVAL227
ATYR228
AHIS38
AHOH2013
AHOH2057
ALEU39
AASN113
AILE151
AASP189
ACYS191
ALYS192
AGLY193

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1245
ChainResidue
ALYS127
ALYS127
ALYS127
AARG130
AARG130
AARG130

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1246
ChainResidue
ATYR184
AARG185
AGLU186

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1247
ChainResidue
AASN131
AASN131
AASN131

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

217705

PDB entries from 2024-03-27

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