5QCM

FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]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 BVJ A 301

Chain	Residue
A	HIS40
A	LYS192
A	GLY193
A	SER195
A	THR213
A	SER214
A	TRP215
A	GLY216
A	GLY218
A	CYS219
A	VAL227
A	LEU41
A	EDO308
A	EDO317
A	HOH403
A	HOH436
A	HOH464
A	HIS57
A	TYR143
A	LEU147
A	ILE151
A	ASP189
A	ALA190
A	CYS191

---

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

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

---

site_id	AC3
Number of Residues	5
Details	binding site for residue EDO A 303

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

---

site_id	AC4
Number of Residues	2
Details	binding site for residue EDO A 304

Chain	Residue
A	GLN73
A	ASN153

---

site_id	AC5
Number of Residues	5
Details	binding site for residue EDO A 305

Chain	Residue
A	GLU98
A	SER117
A	GLN118
A	EDO309
A	HOH448

---

site_id	AC6
Number of Residues	6
Details	binding site for residue EDO A 306

Chain	Residue
A	ARG24
A	SER99
A	GLY173
A	LYS175
A	HOH454
A	HOH519

---

site_id	AC7
Number of Residues	7
Details	binding site for residue EDO A 307

Chain	Residue
A	ARG24
A	GLY25
A	TRP27
A	PRO28
A	ILE70
A	LEU71
A	HOH462

---

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

Chain	Residue
A	SER81
A	GLY216
A	GLY218
A	BVJ301
A	EDO309

---

site_id	AC9
Number of Residues	6
Details	binding site for residue EDO A 309

Chain	Residue
A	GLY216
A	GLU217
A	EDO305
A	EDO308
A	HOH446
A	HOH485

---

site_id	AD1
Number of Residues	4
Details	binding site for residue EDO A 310

Chain	Residue
A	LYS175
A	HIS178
A	HOH432
A	HOH455

---

site_id	AD2
Number of Residues	1
Details	binding site for residue EDO A 311

Chain	Residue
A	HOH409

---

site_id	AD3
Number of Residues	8
Details	binding site for residue EDO A 312

Chain	Residue
A	GLU167
A	ARG170
A	GLY184
A	TYR184
A	ARG184
A	GLU223
A	PRO225
A	HOH408

---

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

Chain	Residue
A	HIS178
A	MET180
A	ASN230
A	HOH411

---

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

Chain	Residue
A	SER99
A	GLY100
A	TYR101
A	THR177
A	MET180

---

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

Chain	Residue
A	GLU26
A	TRP137
A	LYS157
A	HOH407

---

site_id	AD7
Number of Residues	3
Details	binding site for residue EDO A 316

Chain	Residue
A	ILE47
A	LEU239
A	THR242

---

site_id	AD8
Number of Residues	2
Details	binding site for residue EDO A 317

Chain	Residue
A	ARG39
A	BVJ301

---

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	3
Details	ACT_SITE: Charge relay system

Chain	Residue	Details
A	HIS57
A	ASP102
A	SER195

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	BINDING:

Chain	Residue	Details
A	LYS169

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	CARBOHYD: N-linked (GlcNAc...) (complex) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:25092234

Chain	Residue	Details
A	ASN72

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	CARBOHYD: N-linked (GlcNAc...) (complex) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:1998667, ECO:0000269|PubMed:25092234

Chain	Residue	Details
A	GLY113

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