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4Y8X

Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate

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 4GR A 301
ChainResidue
AARG39
AASP194
ASER195
ATRP215
AGLY216
AGLY218
ACYS219
AGLY226
AVAL227
AEDO304
AEDO307
AHIS40
AHOH479
AHOH498
ALEU41
AHIS57
AILE151
AASP189
ACYS191
ALYS192
AGLY193

site_idAC2
Number of Residues11
Detailsbinding site for residue SO4 A 302
ChainResidue
AVAL23
AARG24
AGLY25
AGLU26
ATRP27
APRO28
AILE70
ALEU155
AHOH432
AHOH558
AHOH604

site_idAC3
Number of Residues4
Detailsbinding site for residue SO4 A 303
ChainResidue
AARG170
AARG170
AARG184
AARG184

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 304
ChainResidue
A4GR301
AEDO307
AEDO308
AHOH431

site_idAC5
Number of Residues5
Detailsbinding site for residue EDO A 305
ChainResidue
AASN49
ATHR111
AVAL112
AGLY113
ATYR114

site_idAC6
Number of Residues7
Detailsbinding site for residue EDO A 306
ChainResidue
AARG24
ASER99
AGLY173
ALYS175
AHOH420
AHOH427
AHOH446

site_idAC7
Number of Residues8
Detailsbinding site for residue EDO A 307
ChainResidue
ASER81
AGLY216
AGLU217
AGLY218
A4GR301
AEDO304
AEDO308
AHOH433

site_idAC8
Number of Residues6
Detailsbinding site for residue EDO A 308
ChainResidue
AGLY216
AGLU217
AEDO304
AEDO307
AHOH451
AHOH489

site_idAC9
Number of Residues1
Detailsbinding site for residue EDO A 309
ChainResidue
AHIS178

site_idAD1
Number of Residues4
Detailsbinding site for residue EDO A 310
ChainResidue
AILE47
ATHR242
AGLN243
AHOH607

site_idAD2
Number of Residues6
Detailsbinding site for residue EDO A 311
ChainResidue
AGLU167
AARG170
AGLY184
ATYR184
APRO225
AHOH517

site_idAD3
Number of Residues2
Detailsbinding site for residue EDO A 312
ChainResidue
ALYS202
ATRP207

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-SER200

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
ALYS169

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
AASN72

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
AGLY113

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PDB entries from 2024-07-10

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