4CX7

Structure of human iNOS heme domain in complex with (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE

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	14
Details	BINDING SITE FOR RESIDUE HEM A 550

Chain	Residue
A	TRP194
A	TRP463
A	TYR489
A	TYR491
A	H4B600
A	S71800
A	CYS200
A	GLN205
A	SER242
A	PHE369
A	ASN370
A	GLY371
A	TRP372
A	GLU377

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE H4B A 600

Chain	Residue
A	SER118
A	MET120
A	ARG381
A	ILE462
A	TRP463
A	HEM550
A	S71800
B	TRP461
B	PHE476
B	HIS477
B	GLU479

---

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE S71 A 800

Chain	Residue
A	MET120
A	THR121
A	GLN263
A	PRO350
A	TRP372
A	GLU377
A	TYR491
A	HEM550
A	H4B600
A	GOL880
B	TRP90

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 880

Chain	Residue
A	GLN263
A	ARG266
A	ALA282
A	S71800

---

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 910

Chain	Residue
A	GLY300
A	ARG301
A	PHE302

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 920

Chain	Residue
A	TYR336
A	GLU337
A	TRP338
C	ARG340

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 930

Chain	Residue
A	ASN236
A	ASN239
D	ASN236
D	ASN239

---

site_id	AC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE HEM B 550

Chain	Residue
B	TRP194
B	CYS200
B	ILE201
B	GLN205
B	PHE369
B	ASN370
B	GLY371
B	TRP372
B	GLU377
B	TRP463
B	TYR489
B	TYR491
B	H4B600
B	S71800

---

site_id	AC9
Number of Residues	12
Details	BINDING SITE FOR RESIDUE H4B B 600

Chain	Residue
A	TRP461
A	PHE476
A	HIS477
A	GLN478
A	GLU479
B	SER118
B	MET120
B	ARG381
B	ILE462
B	TRP463
B	HEM550
B	S71800

---

site_id	BC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE S71 B 800

Chain	Residue
A	TRP90
B	GLN263
B	ARG266
B	VAL352
B	TRP372
B	GLU377
B	TRP463
B	TYR491
B	HEM550
B	H4B600
B	GOL880

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL B 880

Chain	Residue
B	ARG266
B	ALA282
B	S71800

---

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 910

Chain	Residue
B	GLY300
B	ARG301

---

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 920

Chain	Residue
B	LYS335
B	GLU337
B	TRP338

---

site_id	BC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HEM C 550

Chain	Residue
C	GLN205
C	SER242
C	PHE369
C	ASN370
C	GLY371
C	TRP372
C	GLU377
C	TRP463
C	TYR489
C	TYR491
C	H4B600
C	S71800
C	TRP194
C	CYS200
C	ILE201

---

site_id	BC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE H4B C 600

Chain	Residue
C	SER118
C	MET120
C	ARG381
C	ILE462
C	TRP463
C	HEM550
C	S71800
D	TRP461
D	PHE476
D	HIS477
D	GLN478
D	GLU479

---

site_id	BC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE S71 C 800

Chain	Residue
C	MET120
C	THR121
C	GLN263
C	PRO350
C	TRP372
C	GLU377
C	TRP463
C	TYR491
C	HEM550
C	H4B600
C	GOL880
D	TRP90

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 880

Chain	Residue
C	ARG266
C	ALA282
C	S71800

---

site_id	BC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 910

Chain	Residue
C	GLY300
C	ARG301

---

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 920

Chain	Residue
C	LYS335
C	TYR336
C	GLU337
C	TRP338

---

site_id	CC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE HEM D 550

Chain	Residue
D	TRP194
D	CYS200
D	GLN205
D	PHE369
D	ASN370
D	GLY371
D	TRP372
D	GLU377
D	TRP463
D	TYR491
D	H4B600
D	S71800

---

site_id	CC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE H4B D 600

Chain	Residue
C	TRP461
C	PHE476
C	HIS477
C	GLN478
D	SER118
D	MET120
D	ARG381
D	ILE462
D	TRP463
D	HEM550
D	S71800

---

site_id	CC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE S71 D 800

Chain	Residue
C	TRP90
D	MET120
D	THR121
D	GLN263
D	PRO350
D	TRP372
D	GLU377
D	TYR491
D	HEM550
D	H4B600
D	GOL880

---

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL D 880

Chain	Residue
D	ARG266
D	ALA282
D	S71800

---

site_id	CC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 D 910

Chain	Residue
D	ARG301

---

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 920

Chain	Residue
B	ARG340
D	LYS335
D	TYR336
D	GLU337
D	TRP338

---

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	4
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

---