4D1O

Structure of human endothelial nitric oxide synthase 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
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	20
Details	BINDING SITE FOR RESIDUE HEM A 500

Chain	Residue
A	TRP178
A	TRP447
A	PHE473
A	TYR475
A	ARG700
A	ACT860
A	H4B1481
A	HOH2365
A	HOH2366
A	HOH2368
A	HOH2369
A	ARG183
A	HOH2370
A	CYS184
A	SER226
A	PHE353
A	SER354
A	TRP356
A	MET358
A	GLU361

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ARG A 700

Chain	Residue
A	GLN247
A	TYR331
A	TRP356
A	TYR357
A	GLU361
A	ASN366
A	HEM500
A	HOH2278

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT A 860

Chain	Residue
A	GLY186
A	TRP356
A	VAL418
A	SER426
A	HEM500
A	HOH2128

---

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE BTB A 870

Chain	Residue
A	VAL381
A	CYS382
A	ASP384
A	GD1482
A	HOH2297
A	HOH2298
A	HOH2372
A	HOH2373
A	HOH2374

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BTB A 871

Chain	Residue
A	GLU377
A	HOH2375

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 880

Chain	Residue
A	ARG365
A	HIS371
A	H4B1481
A	HOH2281
A	HOH2282
A	HOH2376

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 881

Chain	Residue
A	GLU167
A	HOH2377
A	HOH2378

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 900

Chain	Residue
A	CYS94
A	CYS99
B	CYS94
B	CYS99

---

site_id	AC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE H4B A 1481

Chain	Residue
A	SER102
A	ARG365
A	ALA446
A	TRP447
A	HEM500
A	GOL880
A	HOH2056
A	HOH2281
A	HOH2339
A	HOH2370
B	TRP445
B	PHE460
B	HIS461
B	GLU463

---

site_id	BC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM B 500

Chain	Residue
B	TRP178
B	ARG183
B	CYS184
B	SER226
B	PHE353
B	SER354
B	TRP356
B	MET358
B	GLU361
B	TRP447
B	PHE473
B	TYR475
B	ARG700
B	H4B1481
B	HOH2373
B	HOH2374
B	HOH2380
B	HOH2381
B	HOH2382

---

site_id	BC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ARG B 700

Chain	Residue
B	HOH2233
B	HOH2304
B	GLN247
B	ARG250
B	TYR331
B	TRP356
B	TYR357
B	GLU361
B	ASN366
B	HEM500

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT B 860

Chain	Residue
B	TRP356
B	SER426
B	HOH2140
B	HOH2383

---

site_id	BC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BTB B 870

Chain	Residue
B	THR319
B	GLU321
B	GD1482
B	HOH2284
B	HOH2285
B	HOH2384
B	HOH2385
B	HOH2386

---

site_id	BC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE BTB B 871

Chain	Residue
B	GLU298

---

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 880

Chain	Residue
A	TRP74
A	HOH2350
B	VAL104
B	ARG365
B	HIS371
B	H4B1481
B	HOH2205

---

site_id	BC7
Number of Residues	13
Details	BINDING SITE FOR RESIDUE H4B B 1481

Chain	Residue
A	TRP445
A	PHE460
A	HIS461
A	HOH2350
B	SER102
B	ARG365
B	ALA446
B	TRP447
B	HEM500
B	GOL880
B	HOH2047
B	HOH2361
B	HOH2382

---

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GD A 1482

Chain	Residue
A	BTB870
A	HOH2298
A	HOH2299
A	HOH2372
A	HOH2373
A	HOH2374
A	HOH2379

---

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GD B 1482

Chain	Residue
B	THR319
B	GLU321
B	BTB870
B	HOH2284
B	HOH2285

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ARG183-TRP190

---

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":"12437348","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18849972","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25286850","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1M9J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M9K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M9M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M9Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M9R","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3EAH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NOS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4D1O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4D1P","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"PubMed","id":"25286850","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4D1O","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":"25286850","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4D1O","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10074942","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25286850","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3NOS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4D1O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4D1P","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 935

Chain	Residue	Details
A	CYS184	metal ligand
A	ARG187	steric role
A	TRP356	electrostatic stabiliser
A	GLU361	electrostatic stabiliser

---

site_id	MCSA2
Number of Residues	4
Details	M-CSA 935

Chain	Residue	Details
B	CYS184	metal ligand
B	ARG187	steric role
B	TRP356	electrostatic stabiliser
B	GLU361	electrostatic stabiliser

---