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4X6N

FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues25
Detailsbinding site for residue 3Y5 A 301
ChainResidue
AARG39
ALYS192
AGLY193
AASP194
ASER195
ATHR213
ATRP215
AGLY216
AGLY218
ACYS219
AGLY226
AHIS40
AVAL227
AEDO303
AEDO307
AHOH487
AHOH489
AHOH562
ALEU41
AHIS57
ATYR143
AILE151
AASP189
AALA190
ACYS191

site_idAC2
Number of Residues6
Detailsbinding site for residue SO4 A 302
ChainResidue
ALYS169
ALYS169
AARG170
AARG170
AARG184
AARG184

site_idAC3
Number of Residues2
Detailsbinding site for residue EDO A 303
ChainResidue
A3Y5301
AHOH483

site_idAC4
Number of Residues6
Detailsbinding site for residue EDO A 304
ChainResidue
AASN49
ATHR111
AVAL112
AGLY113
ATYR114
AHOH570

site_idAC5
Number of Residues5
Detailsbinding site for residue EDO A 305
ChainResidue
AARG24
ASER99
AGLY173
ALYS175
AHOH414

site_idAC6
Number of Residues9
Detailsbinding site for residue EDO A 306
ChainResidue
AARG24
AGLY25
AGLU26
ATRP27
APRO28
AILE70
ALEU71
ALEU155
AHOH407

site_idAC7
Number of Residues6
Detailsbinding site for residue EDO A 307
ChainResidue
ASER81
AGLY216
AGLU217
AGLY218
A3Y5301
AEDO308

site_idAC8
Number of Residues6
Detailsbinding site for residue EDO A 308
ChainResidue
AGLU98
ATRP215
AGLY216
AGLU217
AEDO307
AHOH479

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

site_idAD1
Number of Residues5
Detailsbinding site for residue EDO A 310
ChainResidue
ASER99
AGLY100
ATYR101
ATHR177
ALYS179

site_idAD2
Number of Residues5
Detailsbinding site for residue EDO A 311
ChainResidue
APRO120
AILE121
ACYS122
AVAL206
ATRP207

site_idAD3
Number of Residues6
Detailsbinding site for residue EDO A 312
ChainResidue
ATYR94
AMET96
AALA97
AGLU98
ASER117
AHOH426

site_idAD4
Number of Residues4
Detailsbinding site for residue EDO A 313
ChainResidue
AGLU26
ATRP27
ATRP137
ALYS157

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 2024-08-07

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