3NOS

HUMAN ENDOTHELIAL NITRIC OXIDE SYNTHASE WITH ARGININE SUBSTRATE

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	4
Details	BINDING SITE FOR RESIDUE ZN A 1000

Chain	Residue
A	CYS94
A	CYS99
B	CYS94
B	CYS99

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE HAR A 512

Chain	Residue
A	GLN247
A	ARG250
A	TYR331
A	GLY355
A	TRP356
A	TYR357
A	GLU361
A	ASN366
A	HEM510
A	HOH1078
A	HOH1192

---

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE HAR B 1012

Chain	Residue
B	GLN247
B	ARG250
B	PRO334
B	GLY355
B	TRP356
B	TYR357
B	GLU361
B	ASN366
B	HEM1010
B	HOH1082
B	HOH1147

---

site_id	AC4
Number of Residues	16
Details	BINDING SITE FOR RESIDUE HEM A 510

Chain	Residue
A	TRP178
A	ARG183
A	CYS184
A	VAL185
A	SER226
A	MET339
A	PHE353
A	SER354
A	TRP356
A	TRP447
A	TYR475
A	H4B511
A	HAR512
A	HOH1096
A	HOH1191
A	HOH1192

---

site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE H4B A 511

Chain	Residue
A	SER102
A	ARG365
A	ALA446
A	TRP447
A	HEM510
A	HOH1097
A	HOH1129
A	HOH1159
B	TRP445
B	PHE460
B	HOH1194

---

site_id	AC6
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HEM B 1010

Chain	Residue
B	TRP178
B	ARG183
B	CYS184
B	VAL185
B	MET339
B	PHE353
B	SER354
B	TRP356
B	GLU361
B	TRP447
B	PHE473
B	TYR475
B	H4B1011
B	HAR1012
B	HOH1131

---

site_id	AC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE H4B B 1011

Chain	Residue
A	TRP445
A	PHE460
B	SER102
B	ARG365
B	ALA446
B	TRP447
B	HEM1010
B	HOH1063
B	HOH1071
B	HOH1108
B	HOH1164
B	HOH1222

---

site_id	COF
Number of Residues	2
Details	COFACTORS

Chain	Residue
A	HEM510
A	H4B511

---

site_id	SUB
Number of Residues	1
Details	SUBSTRATE

Chain	Residue
A	HAR512

---

site_id	ZNB
Number of Residues	2
Details	ZINC BINDING SITE AT THE DIMERIZATION INTERFACE 2 MOTIFS CX

Chain	Residue
A	CYS94
A	CYS99

---

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	CSA1
Number of Residues	5
Details	a catalytic site defined by CSA, PubMed 11744064, 12220171

Chain	Residue	Details
A	TRP356
A	ARG187
A	ARG187
A	GLU361
A	CYS184

---

site_id	CSA2
Number of Residues	5
Details	a catalytic site defined by CSA, PubMed 11744064, 12220171

Chain	Residue	Details
B	TRP356
B	ARG187
B	ARG187
B	GLU361
B	CYS184

---

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

---