6X5L

Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors

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	15
Details	binding site for residue UQG A 301

Chain	Residue
A	HIS56
A	TRP220
A	GLY221
A	GLU223
A	CYS224
A	GLY231
A	HOH416
A	LYS100
A	TYR101
A	ASP194
A	SER195
A	CYS196
A	GLN197
A	SER200
A	SER219

---

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

Chain	Residue
A	GLU70
A	ASN72
A	GLU75
A	GLU77
A	GLU80
A	HOH484

---

site_id	AC3
Number of Residues	10
Details	binding site for residue CIT A 303

Chain	Residue
A	HIS103
A	TYR180
A	ASN181
A	ASN182
A	HIS189
A	GLU190
A	LYS227
A	ARG238
A	CIT304
A	HOH412

---

site_id	AC4
Number of Residues	8
Details	binding site for residue CIT A 304

Chain	Residue
A	ASN181
A	ASN182
A	HIS189
A	LYS227
A	CIT303
A	HOH420
A	HOH454
A	HOH510

---

site_id	AC5
Number of Residues	12
Details	binding site for residue CIT A 305

Chain	Residue
A	HIS91
A	HIS92
A	PHE188
A	HIS189
A	ARG238
A	TYR239
A	ASN241
A	TRP242
A	HOH401
A	HOH424
A	HOH437
A	HOH438

---

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

Chain	Residue
A	ARG147
A	HIS150
A	LYS151
A	CYS196
A	GLN197
A	GLU223
A	CYS224

---

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

Chain	Residue
A	ASN99
A	TYR101
A	PHE177
A	THR178
A	TRP220

---

site_id	AC8
Number of Residues	7
Details	binding site for residue GOL A 308

Chain	Residue
A	ASN93
A	ASN95
A	ILE98
A	ASN99
A	ASN102
A	HIS103
A	HOH413

---

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	VAL52-CYS57

---

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

Chain	Residue	Details
A	ASP194-VAL205

---

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	2
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PubMed","id":"20004170","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"659613","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PubMed","id":"659613","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10467148","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20004170","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20080729","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20121197","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20121198","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1RFN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WPH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WPI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WPJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WPK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WPM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KCG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LC3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LC5","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10467148","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20004170","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20080729","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20121197","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20121198","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2WPH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WPI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WPJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WPK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WPM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KCG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LC3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LC5","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---