3E7M

Structure of murine iNOS oxygenase domain with inhibitor AR-C95791

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ZN A 900

Chain	Residue
A	CYS109

---

site_id	AC2
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM A 901

Chain	Residue
A	GLU371
A	TRP457
A	TYR485
A	H4B902
A	AT2906
A	HOH1001
A	HOH1008
A	HOH1010
A	HOH1021
A	HOH1023
A	TRP188
A	HOH1027
A	HOH1496
A	ARG193
A	CYS194
A	SER236
A	PHE363
A	ASN364
A	GLY365
A	TRP366

---

site_id	AC3
Number of Residues	15
Details	BINDING SITE FOR RESIDUE H4B A 902

Chain	Residue
A	SER112
A	MET114
A	ARG375
A	TRP455
A	ILE456
A	TRP457
A	PHE470
A	HIS471
A	GLN472
A	HEM901
A	HOH1006
A	HOH1011
A	HOH1026
A	HOH1027
A	HOH1295

---

site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE AT2 A 906

Chain	Residue
A	GLN257
A	ARG260
A	TYR341
A	PRO344
A	GLY365
A	TRP366
A	TYR367
A	GLU371
A	ASP376
A	ARG382
A	HEM901
A	HOH1052

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A5001

Chain	Residue
A	ARG80
A	HIS91

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A5002

Chain	Residue
A	ARG80
A	LYS82

---

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ZN B1900

Chain	Residue
B	CYS104
B	CYS109

---

site_id	AC8
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM B1901

Chain	Residue
B	TRP188
B	CYS194
B	SER236
B	PHE363
B	ASN364
B	TRP366
B	GLU371
B	TRP457
B	TYR485
B	HOH1092
B	HOH1107
B	HOH1128
B	HOH1154
B	HOH1182
B	HOH1269
B	HOH1394
B	H4B1902
B	AT21906

---

site_id	AC9
Number of Residues	15
Details	BINDING SITE FOR RESIDUE H4B B1902

Chain	Residue
B	SER112
B	ARG375
B	TRP455
B	ILE456
B	TRP457
B	PHE470
B	HIS471
B	GLN472
B	GLU473
B	HOH1105
B	HOH1112
B	HOH1182
B	HOH1201
B	HOH1291
B	HEM1901

---

site_id	BC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE AT2 B1906

Chain	Residue
B	GLN257
B	ARG260
B	TYR341
B	PRO344
B	GLY365
B	TRP366
B	TYR367
B	GLU371
B	ASP376
B	ARG382
B	HEM1901

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ARG193-TRP200

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
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	2
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	2
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	8
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P29474","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
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	2
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	2
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	2
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	2
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

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 3nos

Chain	Residue	Details
A	TRP366
A	ARG197
A	CYS194
A	GLU371

---

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 3nos

Chain	Residue	Details
B	TRP366
B	ARG197
B	CYS194
B	GLU371

---