5UOA

Structure of human endothelial nitric oxide synthase heme domain in complex with 3-[(2-Amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile

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	13
Details	binding site for residue HEM A 501

Chain	Residue
A	TRP178
A	ARG365
A	TRP447
A	TYR475
A	8EY502
A	CYS184
A	SER226
A	PHE353
A	SER354
A	GLY355
A	TRP356
A	MET358
A	GLU361

---

site_id	AC2
Number of Residues	6
Details	binding site for residue 8EY A 502

Chain	Residue
A	VAL336
A	ASN338
A	TRP356
A	GLU361
A	ARG365
A	HEM501

---

site_id	AC3
Number of Residues	10
Details	binding site for residue 8EY A 503

Chain	Residue
A	SER102
A	VAL104
A	PRO370
A	HIS371
A	ALA446
A	TRP447
B	TRP74
B	TRP445
B	PHE460
B	HIS461

---

site_id	AC4
Number of Residues	10
Details	binding site for residue BTB A 504

Chain	Residue
A	TRP322
A	CYS382
A	ASP384
A	GD508
A	HOH607
A	HOH608
B	ALA325
B	LEU326
B	ASP378
B	CYS382

---

site_id	AC5
Number of Residues	2
Details	binding site for residue BTB A 505

Chain	Residue
A	GLU377
A	THR387

---

site_id	AC6
Number of Residues	4
Details	binding site for residue ZN A 506

Chain	Residue
A	CYS94
A	CYS99
B	CYS94
B	CYS99

---

site_id	AC7
Number of Residues	1
Details	binding site for residue GOL A 507

Chain	Residue
A	GLU167

---

site_id	AC8
Number of Residues	4
Details	binding site for residue GD A 508

Chain	Residue
A	BTB504
A	HOH607
A	HOH608
B	HOH630

---

site_id	AC9
Number of Residues	5
Details	binding site for residue ZN A 509

Chain	Residue
A	HIS461
A	HOH626
A	HOH627
B	ARG365
B	ASP369

---

site_id	AD1
Number of Residues	5
Details	binding site for residue ZN A 510

Chain	Residue
A	ARG365
A	ASP369
A	HOH624
A	HOH628
B	HIS461

---

site_id	AD2
Number of Residues	5
Details	binding site for residue CL A 511

Chain	Residue
A	GLN247
A	ARG250
A	TYR357
A	ARG365
A	ASN366

---

site_id	AD3
Number of Residues	12
Details	binding site for residue HEM B 501

Chain	Residue
B	TRP178
B	ALA181
B	ARG183
B	CYS184
B	PHE353
B	SER354
B	TRP356
B	GLU361
B	ARG365
B	TRP447
B	TYR475
B	8EY502

---

site_id	AD4
Number of Residues	8
Details	binding site for residue 8EY B 502

Chain	Residue
B	PRO334
B	VAL336
B	GLY355
B	TRP356
B	TYR357
B	GLU361
B	TYR475
B	HEM501

---

site_id	AD5
Number of Residues	11
Details	binding site for residue 8EY B 503

Chain	Residue
A	TRP74
A	GLU75
A	TRP445
A	PHE460
A	HIS461
B	SER102
B	VAL104
B	ASP369
B	PRO370
B	ALA446
B	TRP447

---

site_id	AD6
Number of Residues	8
Details	binding site for residue BTB B 504

Chain	Residue
B	GLU321
B	GD510
B	HOH603
B	HOH614
B	HOH615
A	ASN374
A	ASP378
B	THR319

---

site_id	AD7
Number of Residues	1
Details	binding site for residue BTB B 505

Chain	Residue
B	GLU377

---

site_id	AD8
Number of Residues	4
Details	binding site for residue BTB B 506

Chain	Residue
B	GLU167
B	GLU298
B	HOH602
B	HOH623

---

site_id	AD9
Number of Residues	5
Details	binding site for residue BTB B 507

Chain	Residue
A	GLN257
A	ASP386
A	ARG388
B	ASP384
B	LEU385

---

site_id	AE1
Number of Residues	3
Details	binding site for residue BTB B 508

Chain	Residue
B	PHE105
B	GLU269
B	ASP478

---

site_id	AE2
Number of Residues	2
Details	binding site for residue BTB B 509

Chain	Residue
B	ASP200
B	HOH613

---

site_id	AE3
Number of Residues	5
Details	binding site for residue GD B 510

Chain	Residue
B	THR319
B	GLU321
B	BTB504
B	HOH603
B	HOH615

---

site_id	AE4
Number of Residues	4
Details	binding site for residue CL B 511

Chain	Residue
B	GLN247
B	TYR357
B	ARG365
B	ASN366

---

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: BINDING => ECO:0000269|PubMed:10074942, ECO:0000269|PubMed:12437348, ECO:0000269|PubMed:18849972, ECO:0000269|PubMed:25286850, ECO:0007744|PDB:1M9J, ECO:0007744|PDB:1M9K, ECO:0007744|PDB:1M9M, ECO:0007744|PDB:1M9Q, ECO:0007744|PDB:1M9R, ECO:0007744|PDB:3EAH, ECO:0007744|PDB:3NOS, ECO:0007744|PDB:4D1O, ECO:0007744|PDB:4D1P

Chain	Residue	Details
A	CYS94
A	CYS99
B	CYS94
B	CYS99

---

site_id	SWS_FT_FI2
Number of Residues	20
Details	BINDING: BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O

Chain	Residue	Details
A	SER102
A	TYR475
B	SER102
B	GLN247
B	TRP356
B	TYR357
B	GLU361
B	ASN366
B	ALA446
B	TRP447
B	PHE460
A	GLN247
B	TYR475
A	TRP356
A	TYR357
A	GLU361
A	ASN366
A	ALA446
A	TRP447
A	PHE460

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING: axial binding residue => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O

Chain	Residue	Details
A	CYS184
B	CYS184

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:10074942, ECO:0000269|PubMed:25286850, ECO:0007744|PDB:3NOS, ECO:0007744|PDB:4D1O, ECO:0007744|PDB:4D1P

Chain	Residue	Details
A	ARG365
B	ARG365

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: Phosphoserine; by CDK5 => ECO:0000269|PubMed:20213743

Chain	Residue	Details
A	SER114
B	SER114

---

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

---