4Z0K

Rapid development of two Factor IXa inhibitors from Hit to Lead

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 4LN A 301

Chain	Residue
A	TYR99
A	GLU217
A	GLU219
A	CYS220
A	HOH411
A	HOH508
A	HOH519
A	PHE174
A	SER190
A	CYS191
A	GLN192
A	SER195
A	SER214
A	TRP215
A	GLY216

---

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	HOH407

---

site_id	AC3
Number of Residues	11
Details	binding site for residue NHE A 303

Chain	Residue
A	ASP21
A	LYS132
A	PHE145
A	ALA152
A	LEU153
A	VAL154
A	HOH423
A	HOH476
A	HOH486
A	HOH623
B	ASN89

---

site_id	AC4
Number of Residues	4
Details	binding site for residue CL B 201

Chain	Residue
A	ARG83
A	HOH451
A	HOH561
B	LEU117

---

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	232
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	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_FI3
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_FI4
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_FI5
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

---