4UX6

The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)

Functional Information from GO Data

Chain	GOid	namespace	contents
B	0004517	molecular_function	nitric-oxide synthase activity
B	0006809	biological_process	nitric oxide biosynthetic process
B	0020037	molecular_function	heme binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE HEM B 1497

Chain	Residue
B	TRP188
B	TRP457
B	TYR483
B	TYR485
B	H4B1498
B	YWO1499
B	ARG193
B	CYS194
B	ILE195
B	MET349
B	PHE363
B	GLY365
B	TRP366
B	GLU371

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE H4B B 1498

Chain	Residue
B	SER112
B	MET114
B	ARG375
B	TRP455
B	ILE456
B	TRP457
B	PHE470
B	HIS471
B	HEM1497

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE YWO B 1499

Chain	Residue
B	SER256
B	GLN257
B	PRO344
B	PHE363
B	GLY365
B	TRP366
B	TYR367
B	MET368
B	GLU371
B	HEM1497

---

Functional Information from PROSITE/UniProt

site_id	PS60001
Number of Residues	8
Details	NOS Nitric oxide synthase (NOS) signature. RCIGRIqW

Chain	Residue	Details
B	ARG193-TRP200

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10562539","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10769116","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12464241","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DF1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DWV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DWW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1N2N","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10562539","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10769116","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11669619","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12437348","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12464241","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9516116","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DF1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DWX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JWJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8D","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M9T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1N2N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NOD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QOM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NOD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NOD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"10562539","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10769116","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11669619","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12437348","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12464241","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9334294","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9516116","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DF1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DWV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DWW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DWX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JWJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JWK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8D","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M9T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1N2N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NOC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NOD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NOS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QOM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NOD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NOS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NOD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P29474","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10562539","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10769116","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11669619","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12437348","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12464241","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9516116","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DF1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DWX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JWJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JWK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8D","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M9T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1N2N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NOD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QOM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NOD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10562539","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12437348","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12464241","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DF1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M9T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1N2N","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10562539","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10769116","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12437348","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12464241","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9516116","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DF1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DWX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8D","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M9T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1N2N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NOD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QOM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NOD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NOD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10562539","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10769116","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11669619","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12437348","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12464241","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9516116","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DF1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DWX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JWJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JWK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8D","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M8I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1N2N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NOD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QOM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NOD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NOD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10562539","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10769116","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9516116","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DF1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DWX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NOD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QOM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NOD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NOD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---