3LC3

Benzothiophene Inhibitors of Factor IXa

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE IYX A 1

Chain	Residue
A	IYX2
A	CYS220
A	GLY226
A	HOH351
A	TYR99
A	ASP189
A	SER190
A	CYS191
A	GLN192
A	SER195
A	GLY216
A	GLU217

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE IYX A 2

Chain	Residue
A	IYX1
A	ASN97
A	LYS98
A	TYR99
A	HIS147
A	PHE174
A	TRP215
A	GLY216
A	GLU217
A	GLU219
C	HOH346

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 246

Chain	Residue
A	HOH6
A	GLU70
A	ASN72
A	GLU75
A	GLU77
A	GLU80

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE IYX C 1

Chain	Residue
C	IYX2
C	TYR99
C	ASP189
C	SER190
C	GLN192
C	SER195
C	GLY216
C	GLU217
C	CYS220
C	GLY226

---

site_id	AC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE IYX C 2

Chain	Residue
C	IYX1
C	ASN97
C	LYS98
C	TYR99
C	HIS147
C	PHE174
C	TRP215
C	GLY216
C	GLU217
C	GLU219
C	HOH344
C	HOH405
C	HOH420

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 246

Chain	Residue
C	GLU70
C	ASN72
C	GLU75
C	GLU77
C	GLU80
C	HOH400

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL53-CYS58

---

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

Chain	Residue	Details
A	ASP189-VAL200

---

site_id	PS01186
Number of Residues	16
Details	EGF_2 EGF-like domain signature 2. CsCteGYrlaenqksC

Chain	Residue	Details
B	CYS109-CYS124

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Charge relay system => ECO:0000269|PubMed:20004170, ECO:0000269|PubMed:659613

Chain	Residue	Details
A	HIS57
A	SER195
C	HIS57
C	SER195

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	ACT_SITE: Charge relay system => ECO:0000269|PubMed:659613

Chain	Residue	Details
A	ASP102
C	ASP102

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269|PubMed:10467148, ECO:0000269|PubMed:20004170, ECO:0000269|PubMed:20080729, ECO:0000269|PubMed:20121197, ECO:0000269|PubMed:20121198, ECO:0007744|PDB:1RFN, ECO:0007744|PDB:2WPH, ECO:0007744|PDB:2WPI, ECO:0007744|PDB:2WPJ, ECO:0007744|PDB:2WPK, ECO:0007744|PDB:2WPM, ECO:0007744|PDB:3KCG, ECO:0007744|PDB:3LC3, ECO:0007744|PDB:3LC5

Chain	Residue	Details
A	GLU70
A	ASN72
A	GLU75
A	GLU77
C	GLU70
C	ASN72
C	GLU75
C	GLU77

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:10467148, ECO:0000269|PubMed:20004170, ECO:0000269|PubMed:20080729, ECO:0000269|PubMed:20121197, ECO:0000269|PubMed:20121198, ECO:0007744|PDB:2WPH, ECO:0007744|PDB:2WPI, ECO:0007744|PDB:2WPJ, ECO:0007744|PDB:2WPK, ECO:0007744|PDB:2WPM, ECO:0007744|PDB:3KCG, ECO:0007744|PDB:3LC3, ECO:0007744|PDB:3LC5

Chain	Residue	Details
A	GLU80
C	GLU80

---