3EJ8

Structure of double mutant of human iNOS oxygenase domain with bound immidazole

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
C	0004517	molecular_function	nitric-oxide synthase activity
C	0006809	biological_process	nitric oxide biosynthetic process
D	0004517	molecular_function	nitric-oxide synthase activity
D	0006809	biological_process	nitric oxide biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HEC A1901

Chain	Residue
A	TRP194
A	GLU377
A	TRP463
A	TYR489
A	TYR491
A	H4B1902
A	IMD1904
A	ARG199
A	CYS200
A	GLN205
A	SER242
A	PHE369
A	ASN370
A	GLY371
A	TRP372

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE H4B A1902

Chain	Residue
A	SER118
A	MET120
A	ARG381
A	ILE462
A	TRP463
A	HEC1901
A	HOH5031
B	TRP461
B	PHE476
B	HIS477
B	GLN478

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A1903

Chain	Residue
A	CYS110
A	CYS115
B	CYS110
B	CYS115

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IMD A1904

Chain	Residue
A	TRP372
A	GLU377
A	HEC1901

---

site_id	AC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE HEC B2901

Chain	Residue
B	TRP194
B	CYS200
B	GLN205
B	PHE369
B	GLY371
B	TRP372
B	GLU377
B	MET434
B	TRP463
B	TYR489
B	TYR491
B	H4B2902
B	IMD2904

---

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE H4B B2902

Chain	Residue
A	TRP461
A	PHE476
A	HIS477
A	GLN478
B	SER118
B	MET120
B	ARG381
B	ILE462
B	TRP463
B	HEC2901

---

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IMD B2904

Chain	Residue
B	GLU377
B	HEC2901

---

site_id	AC8
Number of Residues	16
Details	BINDING SITE FOR RESIDUE HEC C3901

Chain	Residue
C	TRP194
C	ARG199
C	CYS200
C	GLY202
C	GLN205
C	MET355
C	PHE369
C	ASN370
C	GLY371
C	TRP372
C	GLU377
C	TRP463
C	TYR489
C	TYR491
C	H4B3902
C	IMD3904

---

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE H4B C3902

Chain	Residue
C	SER118
C	MET120
C	ARG381
C	ILE462
C	TRP463
C	HEC3901
D	TRP461
D	PHE476

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C3903

Chain	Residue
C	CYS110
C	CYS115
D	CYS110
D	CYS115

---

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IMD C3904

Chain	Residue
C	GLU377
C	HEC3901

---

site_id	BC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE HEC D4901

Chain	Residue
D	IMD4904
D	TRP194
D	CYS200
D	GLN205
D	PHE369
D	GLY371
D	TRP372
D	GLU377
D	TRP463
D	TYR489
D	TYR491
D	H4B4902

---

site_id	BC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE H4B D4902

Chain	Residue
C	TRP90
C	TRP461
C	PHE476
C	HIS477
C	GLN478
D	SER118
D	MET120
D	ARG381
D	ILE462
D	TRP463
D	HEC4901
D	HOH5166

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IMD D4904

Chain	Residue
D	GLU377
D	HEC4901
D	HOH5071

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ARG199-TRP206

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10074942","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10409685","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1NSI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4NOS","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10074942","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10409685","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1NSI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NSI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4NOS","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"10074942","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10409685","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1NSI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2NSI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4NOS","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P29474","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine; by PKA","evidences":[{"evidenceCode":"ECO:0000255"}]}

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	TRP372
A	CYS200
A	GLU377
A	ARG203

---

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

Chain	Residue	Details
B	TRP372
B	CYS200
B	GLU377
B	ARG203

---

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 3nos

Chain	Residue	Details
C	TRP372
C	CYS200
C	GLU377
C	ARG203

---

site_id	CSA4
Number of Residues	4
Details	Annotated By Reference To The Literature 3nos

Chain	Residue	Details
D	TRP372
D	CYS200
D	GLU377
D	ARG203

---