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4Y8Y

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)-3-(morpholin-4-yl)-3-oxopropyl]-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 Residues27
Detailsbinding site for residue 4D5 A 301
ChainResidue
AARG39
AASP189
AALA190
ACYS191
ALYS192
AGLY193
AASP194
ASER195
ATRP215
AGLY216
AGLY218
AHIS40
ACYS219
AGLY226
AEDO304
AEDO308
AHOH426
AHOH470
AHOH473
AHOH478
ALEU41
AHIS57
ATYR58
AGLY115
AASP116
ALEU147
AILE151

site_idAC2
Number of Residues11
Detailsbinding site for residue SO4 A 302
ChainResidue
ASER22
AVAL23
AARG24
AGLY25
AGLU26
ATRP27
AILE70
ALEU71
ALEU155
AHOH412
AHOH472

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

site_idAC4
Number of Residues3
Detailsbinding site for residue EDO A 304
ChainResidue
ALYS192
A4D5301
AEDO308

site_idAC5
Number of Residues4
Detailsbinding site for residue EDO A 305
ChainResidue
AASN49
ATHR111
AVAL112
ATYR114

site_idAC6
Number of Residues4
Detailsbinding site for residue EDO A 306
ChainResidue
AGLN73
ASER74
AILE151
AASN153

site_idAC7
Number of Residues2
Detailsbinding site for residue EDO A 307
ChainResidue
AARG24
ASER99

site_idAC8
Number of Residues7
Detailsbinding site for residue EDO A 308
ChainResidue
ASER81
ALEU147
AGLY216
AGLY218
A4D5301
AEDO304
AEDO309

site_idAC9
Number of Residues5
Detailsbinding site for residue EDO A 309
ChainResidue
AGLU98
AHIS174
AGLY216
AGLU217
AEDO308

site_idAD1
Number of Residues1
Detailsbinding site for residue EDO A 310
ChainResidue
AHIS178

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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