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4Y8Z

Factor XIa in complex with the inhibitor (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues23
Detailsbinding site for residue 4CE A 301
ChainResidue
AARG39
AALA190
ACYS191
ALYS192
AGLY193
AASP194
ASER195
ATHR213
ATRP215
AGLY216
AGLY218
AHIS40
ACYS219
AVAL227
AHOH421
AHOH457
ALEU41
ACYS42
AHIS57
ATYR58
ATYR114
ATYR143
AILE151

site_idAC2
Number of Residues4
Detailsbinding site for residue SO4 A 302
ChainResidue
AARG170
AARG170
AARG184
AARG184

site_idAC3
Number of Residues3
Detailsbinding site for residue EDO A 303
ChainResidue
ATHR111
AVAL112
ATYR114

site_idAC4
Number of Residues5
Detailsbinding site for residue EDO A 304
ChainResidue
AARG24
ASER99
AGLY173
AHIS174
ALYS175

site_idAC5
Number of Residues3
Detailsbinding site for residue EDO A 305
ChainResidue
AGLY216
AGLU217
AHOH434

site_idAC6
Number of Residues3
Detailsbinding site for residue EDO A 306
ChainResidue
ALYS175
AHIS178
AHOH465

site_idAC7
Number of Residues2
Detailsbinding site for residue EDO A 307
ChainResidue
ATHR35
ASER36

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

226707

PDB entries from 2024-10-30

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