5Q0E

FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-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	24
Details	binding site for residue 9FD A 301

Chain	Residue
A	ARG39
A	LYS192
A	GLY193
A	ASP194
A	SER195
A	TRP215
A	GLY216
A	GLY218
A	CYS219
A	GLY226
A	VAL227
A	HIS40
A	EDO304
A	EDO307
A	EDO316
A	HOH413
A	HOH478
A	LEU41
A	HIS57
A	CYS58
A	ILE151
A	ASP189
A	ALA190
A	CYS191

---

site_id	AC2
Number of Residues	11
Details	binding site for residue SO4 A 302

Chain	Residue
A	VAL23
A	ARG24
A	GLY25
A	GLU26
A	TRP27
A	PRO28
A	ILE70
A	LEU71
A	LEU155
A	HOH414
A	HOH432

---

site_id	AC3
Number of Residues	6
Details	binding site for residue SO4 A 303

Chain	Residue
A	LYS169
A	LYS169
A	ARG170
A	ARG170
A	ARG184
A	ARG184

---

site_id	AC4
Number of Residues	4
Details	binding site for residue EDO A 304

Chain	Residue
A	9FD301
A	EDO307
A	EDO308
A	EDO316

---

site_id	AC5
Number of Residues	6
Details	binding site for residue EDO A 305

Chain	Residue
A	ASN49
A	THR111
A	VAL112
A	GLY113
A	TYR114
A	HOH472

---

site_id	AC6
Number of Residues	7
Details	binding site for residue EDO A 306

Chain	Residue
A	ARG24
A	SER99
A	GLY173
A	LYS175
A	HOH436
A	HOH466
A	HOH535

---

site_id	AC7
Number of Residues	8
Details	binding site for residue EDO A 307

Chain	Residue
A	SER81
A	GLY216
A	GLU217
A	GLY218
A	9FD301
A	EDO304
A	EDO308
A	HOH499

---

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

Chain	Residue
A	GLY216
A	GLU217
A	EDO304
A	EDO307
A	HOH426

---

site_id	AC9
Number of Residues	1
Details	binding site for residue EDO A 309

Chain	Residue
A	HIS178

---

site_id	AD1
Number of Residues	2
Details	binding site for residue EDO A 310

Chain	Residue
A	GLN38
A	HOH406

---

site_id	AD2
Number of Residues	7
Details	binding site for residue EDO A 311

Chain	Residue
A	GLU167
A	ARG170
A	GLY184
A	TYR184
A	GLU223
A	PRO225
A	HOH431

---

site_id	AD3
Number of Residues	6
Details	binding site for residue EDO A 312

Chain	Residue
A	HIS178
A	MET180
A	ILE181
A	ASN230
A	HOH483
A	HOH541

---

site_id	AD4
Number of Residues	5
Details	binding site for residue EDO A 313

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

---

site_id	AD5
Number of Residues	3
Details	binding site for residue EDO A 314

Chain	Residue
A	GLU26
A	TRP137
A	LYS157

---

site_id	AD6
Number of Residues	4
Details	binding site for residue EDO A 315

Chain	Residue
A	ILE47
A	THR242
A	GLN243
A	HOH448

---

site_id	AD7
Number of Residues	5
Details	binding site for residue EDO A 316

Chain	Residue
A	GLY113
A	TYR114
A	9FD301
A	EDO304
A	HOH423

---

site_id	AD8
Number of Residues	3
Details	binding site for residue EDO A 317

Chain	Residue
A	GLY25
A	GLU26
A	ARG119

---

site_id	AD9
Number of Residues	4
Details	binding site for residue EDO A 318

Chain	Residue
A	PRO120
A	ILE121
A	CYS122
A	TRP207

---

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

---