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3SOS

Benzothiazinone inhibitor in complex with FXIa

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE CIT A 701
ChainResidue
AGLU398
ALYS582
AHOH870
ATRP399
AGLN471
ATYR479
AASP513
ATRP515
ALYS534
AHIS556
ALYS557

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TRS A 702
ChainResidue
AARG396
AGLY397
ATRP399
APRO400
AGLN402
AILE448
ASER495
ALEU532
AHOH806

site_idAC3
Number of Residues22
DetailsBINDING SITE FOR RESIDUE O61 A 703
ChainResidue
AARG413
AHIS414
ALEU415
AHIS431
ATYR521
AILE528
AASP569
AALA570
ACYS571
ALYS572
AGLY573
AASP574
ASER575
ATHR593
ASER594
ATRP595
AGLY596
AGLY598
ACYS599
AGLY606
AVAL607
ATYR608

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC
ChainResidueDetails
ALEU427-CYS432

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DAckGDSGGPLS
ChainResidueDetails
AASP569-SER580

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Charge relay system
ChainResidueDetails
AHIS431
AASP480
ASER575

site_idSWS_FT_FI2
Number of Residues1
DetailsBINDING:
ChainResidueDetails
ALYS547

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
AASN450

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
AASN491

238268

PDB entries from 2025-07-02

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