6W50

FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004252	molecular_function	serine-type endopeptidase activity
A	0006508	biological_process	proteolysis

Functional Information from PDB Data

site_id	AC1
Number of Residues	27
Details	binding site for residue SWP A 301

Chain	Residue
A	ARG39
A	GLY193
A	ASP194
A	SER195
A	THR213
A	SER214
A	TRP215
A	GLY218
A	CYS219
A	GLY226
A	VAL227
A	HIS40
A	TYR228
A	SO4302
A	HOH415
A	HOH449
A	HOH454
A	HOH467
A	HOH578
A	HOH594
A	LEU41
A	HIS57
A	ILE151
A	ASP189
A	ALA190
A	CYS191
A	LYS192

---

site_id	AC2
Number of Residues	6
Details	binding site for residue SO4 A 302

Chain	Residue
A	HIS57
A	LYS192
A	GLY193
A	SER195
A	SWP301
A	HOH449

---

site_id	AC3
Number of Residues	4
Details	binding site for residue SO4 A 303

Chain	Residue
A	ARG170
A	ARG170
A	ARG184
A	ARG184

---

site_id	AC4
Number of Residues	6
Details	binding site for residue EDO A 304

Chain	Residue
A	ASN49
A	THR111
A	VAL112
A	GLY113
A	TYR114
A	HOH444

---

site_id	AC5
Number of Residues	9
Details	binding site for residue EDO A 305

Chain	Residue
A	ARG24
A	GLY25
A	GLU26
A	TRP27
A	PRO28
A	ILE70
A	LEU71
A	HOH422
A	HOH491

---

site_id	AC6
Number of Residues	4
Details	binding site for residue EDO A 306

Chain	Residue
A	GLU98
A	GLY216
A	GLU217
A	HOH415

---

site_id	AC7
Number of Residues	5
Details	binding site for residue EDO A 307

Chain	Residue
A	SER99
A	GLY100
A	TYR101
A	THR177
A	LYS179

---

site_id	AC8
Number of Residues	5
Details	binding site for residue EDO A 308

Chain	Residue
A	GLU167
A	ARG170
A	GLU223
A	PRO225
A	HOH410

---

site_id	AC9
Number of Residues	4
Details	binding site for residue EDO A 309

Chain	Residue
A	HIS178
A	MET180
A	ASN230
A	HOH485

---

site_id	AD1
Number of Residues	5
Details	binding site for residue EDO A 310

Chain	Residue
A	GLU26
A	TRP27
A	TRP137
A	LYS157
A	HOH496

---

site_id	AD2
Number of Residues	2
Details	binding site for residue EDO A 311

Chain	Residue
A	GLN38
A	HOH430

---

site_id	AD3
Number of Residues	4
Details	binding site for residue EDO A 312

Chain	Residue
A	ILE47
A	LEU239
A	THR242
A	GLN243

---

site_id	AD4
Number of Residues	4
Details	binding site for residue EDO A 313

Chain	Residue
A	LYS175
A	HIS178
A	EDO315
A	HOH538

---

site_id	AD5
Number of Residues	5
Details	binding site for residue EDO A 314

Chain	Residue
A	ARG24
A	SER99
A	LYS175
A	HOH498
A	HOH520

---

site_id	AD6
Number of Residues	3
Details	binding site for residue EDO A 315

Chain	Residue
A	LYS179
A	GLU233
A	EDO313

---

Functional Information from PROSITE/UniProt

site_id	PS00134
Number of Residues	6
Details	TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC

Chain	Residue	Details
A	LEU53-CYS58

---

site_id	PS00135
Number of Residues	12
Details	TRYPSIN_SER Serine proteases, trypsin family, serine active site. DAckGDSGGPLS

Chain	Residue	Details
A	ASP189-SER200

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	235
Details	Domain: {"description":"Peptidase S1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00274","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Active site: {"description":"Charge relay system"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Glycosylation: {"description":"N-linked (GlcNAc...) (complex) asparagine","evidences":[{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25092234","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Glycosylation: {"description":"N-linked (GlcNAc...) (complex) asparagine","evidences":[{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"1998667","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25092234","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---