4D1N

Structure of human nNOS heme domain with L-Arg bound

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
A	0020037	molecular_function	heme binding
B	0004517	molecular_function	nitric-oxide synthase activity
B	0006809	biological_process	nitric oxide biosynthetic process
B	0020037	molecular_function	heme binding
C	0004517	molecular_function	nitric-oxide synthase activity
C	0006809	biological_process	nitric oxide biosynthetic process
C	0020037	molecular_function	heme binding
D	0004517	molecular_function	nitric-oxide synthase activity
D	0006809	biological_process	nitric oxide biosynthetic process
D	0020037	molecular_function	heme binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HEM A 750

Chain	Residue
A	TRP414
A	ARG770
A	HOH2068
A	HOH2209
A	HOH2211
A	HOH2212
A	HOH2213
A	CYS420
A	PHE589
A	SER590
A	TRP592
A	GLU597
A	TRP683
A	TYR711
A	H4B760

---

site_id	AC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE H4B A 760

Chain	Residue
A	SER339
A	ARG601
A	VAL682
A	TRP683
A	HEM750
A	HOH2069
A	HOH2161
A	HOH2162
A	HOH2192
A	HOH2212
B	TRP681
B	PHE696
B	HIS697
B	GLN698
B	GLU699

---

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE ARG A 770

Chain	Residue
A	GLN483
A	TYR567
A	VAL572
A	TRP592
A	TYR593
A	GLU597
A	ASP602
A	HEM750
A	HOH2107
A	HOH2149
A	HOH2158

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 880

Chain	Residue
A	LYS411
A	LEU429
A	GLN430
A	VAL431
A	HOH2214

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 900

Chain	Residue
A	CYS331
A	CYS336
B	CYS331
B	CYS336

---

site_id	AC6
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM B 750

Chain	Residue
B	TRP414
B	ARG419
B	CYS420
B	VAL421
B	SER462
B	PHE589
B	SER590
B	TRP592
B	GLU597
B	TRP683
B	TYR711
B	H4B760
B	ARG770
B	HOH2202
B	HOH2203
B	HOH2204
B	HOH2205

---

site_id	AC7
Number of Residues	15
Details	BINDING SITE FOR RESIDUE H4B B 760

Chain	Residue
A	TRP681
A	PHE696
A	HIS697
A	GLN698
A	GLU699
B	SER339
B	ARG601
B	VAL682
B	TRP683
B	HEM750
B	HOH2065
B	HOH2161
B	HOH2197
B	HOH2204
B	HOH2206

---

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ARG B 770

Chain	Residue
B	GLN483
B	TYR567
B	VAL572
B	TRP592
B	TYR593
B	GLU597
B	ASP602
B	HEM750
B	HOH2150
B	HOH2160

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL B 880

Chain	Residue
B	LYS411
B	LEU429
B	VAL431

---

site_id	BC1
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM C 750

Chain	Residue
C	PHE589
C	SER590
C	TRP592
C	GLU597
C	TRP683
C	TYR711
C	H4B760
C	ARG770
C	HOH2079
C	HOH2259
C	HOH2261
C	HOH2262
C	HOH2263
C	HOH2264
C	TRP414
C	CYS420
C	VAL421
C	SER462

---

site_id	BC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE H4B C 760

Chain	Residue
C	SER339
C	MET341
C	ARG601
C	VAL682
C	TRP683
C	HEM750
C	HOH2081
C	HOH2207
C	HOH2246
C	HOH2263
C	HOH2265
D	TRP681
D	PHE696
D	HIS697
D	GLN698
D	GLU699

---

site_id	BC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ARG C 770

Chain	Residue
C	GLN483
C	TYR567
C	VAL572
C	TRP592
C	TYR593
C	GLU597
C	ASP602
C	HEM750
C	HOH2193
C	HOH2203

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 880

Chain	Residue
C	LYS411
C	LEU429
C	GLN430
C	VAL431
C	HOH2089

---

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 881

Chain	Residue
C	LEU321
C	HIS412
C	ARG415
C	ARG674
C	HOH2064

---

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 882

Chain	Residue
C	ASP433
C	ASP436
C	TYR446
C	HOH2055
C	HOH2090
C	HOH2145

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 900

Chain	Residue
C	CYS331
C	CYS336
D	CYS331
D	CYS336

---

site_id	BC8
Number of Residues	16
Details	BINDING SITE FOR RESIDUE HEM D 750

Chain	Residue
D	TRP414
D	CYS420
D	SER462
D	PHE589
D	SER590
D	GLY591
D	TRP592
D	GLU597
D	TRP683
D	TYR711
D	H4B760
D	ARG770
D	HOH2166
D	HOH2167
D	HOH2168
D	HOH2169

---

site_id	BC9
Number of Residues	15
Details	BINDING SITE FOR RESIDUE H4B D 760

Chain	Residue
C	TRP681
C	PHE696
C	HIS697
C	GLN698
C	GLU699
D	SER339
D	ARG601
D	VAL682
D	TRP683
D	HEM750
D	HOH2050
D	HOH2127
D	HOH2162
D	HOH2169
D	HOH2170

---

site_id	CC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ARG D 770

Chain	Residue
D	GLN483
D	TYR567
D	TRP592
D	TYR593
D	GLU597
D	ASP602
D	HEM750
D	HOH2090
D	HOH2116
D	HOH2125

---

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL D 880

Chain	Residue
D	LYS411
D	LEU429
D	GLN430
D	VAL431

---

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 881

Chain	Residue
D	LYS324
D	GLN369
D	HIS412
D	ARG415
D	ARG674
D	HOH2039

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ARG419-TRP426

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"25286850","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4D1N","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"25286850","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4D1N","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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