Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6POU

Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-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
E	0004517	molecular_function	nitric-oxide synthase activity
E	0006809	biological_process	nitric oxide biosynthetic process
F	0004517	molecular_function	nitric-oxide synthase activity
F	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 501

Chain	Residue
A	TRP178
A	ARG365
A	TRP447
A	TYR475
A	M16502
A	HOH604
A	ARG183
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 M16 A 502

Chain	Residue
A	VAL336
A	PHE353
A	TRP356
A	TYR357
A	GLU361
A	ARG365
A	TYR475
A	HEM501

site_id	AC3
Number of Residues	6
Details	binding site for residue M16 A 503

Chain	Residue
A	VAL104
A	ALA446
A	TRP447
A	HOH604
B	TRP445
B	PHE460

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

Chain	Residue
A	TRP322
A	VAL381
A	CYS382
A	ASP384
A	GD507
A	HOH699
F	TRP322
F	ALA325
F	LEU326
F	ASP378

site_id	AC5
Number of Residues	4
Details	binding site for residue BTB A 505

Chain	Residue
A	GLU377
A	THR387
A	ARG388
F	ASP384

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	3
Details	binding site for residue GD A 507

Chain	Residue
A	BTB504
A	HOH608
A	HOH699

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

Chain	Residue
A	GLU156
A	GLN164
A	BTB509
F	GLU147

site_id	AC9
Number of Residues	7
Details	binding site for residue BTB A 509

Chain	Residue
A	GLU156
A	GLN164
A	GD508
A	HOH629
B	BTB505
F	GLY142
F	GLU147

site_id	AD1
Number of Residues	4
Details	binding site for residue ZN A 510

Chain	Residue
A	ASP369
A	HOH735
B	HIS461
B	HOH744

site_id	AD2
Number of Residues	17
Details	binding site for residue HEM B 501

Chain	Residue
B	TRP178
B	ALA181
B	ARG183
B	CYS184
B	SER226
B	PHE353
B	SER354
B	TRP356
B	MET358
B	GLU361
B	ARG365
B	TRP447
B	PHE473
B	TYR475
B	M16502
B	HOH601
B	HOH629

site_id	AD3
Number of Residues	7
Details	binding site for residue M16 B 502

Chain	Residue
B	VAL336
B	TRP356
B	TYR357
B	GLU361
B	ARG365
B	TYR475
B	HEM501

site_id	AD4
Number of Residues	9
Details	binding site for residue M16 B 503

Chain	Residue
A	TRP445
A	PHE460
A	HIS461
B	VAL104
B	HIS371
B	ALA446
B	TRP447
B	HOH601
B	HOH629

site_id	AD5
Number of Residues	6
Details	binding site for residue BTB B 504

Chain	Residue
B	GD508
B	HOH679
C	ASN374
C	ASP378
B	THR319
B	GLU321

site_id	AD6
Number of Residues	5
Details	binding site for residue BTB B 505

Chain	Residue
A	BTB509
B	GLU298
B	GD509
D	GLU167
D	HOH643

site_id	AD7
Number of Residues	1
Details	binding site for residue BTB B 506

Chain	Residue
B	GLU377

site_id	AD8
Number of Residues	4
Details	binding site for residue BTB B 507

Chain	Residue
B	GLU154
E	GLY237
E	ARG238
E	ASP297

site_id	AD9
Number of Residues	5
Details	binding site for residue GD B 508

Chain	Residue
B	THR319
B	GLU321
B	BTB504
B	HOH679
C	HOH626

site_id	AE1
Number of Residues	2
Details	binding site for residue GD B 509

Chain	Residue
B	BTB505
D	GLU167

site_id	AE2
Number of Residues	4
Details	binding site for residue ZN B 510

Chain	Residue
A	HIS461
A	HOH732
B	ASP369
B	HOH740

site_id	AE3
Number of Residues	13
Details	binding site for residue HEM C 501

Chain	Residue
C	TRP178
C	ARG183
C	CYS184
C	SER226
C	PHE353
C	SER354
C	TRP356
C	GLU361
C	ARG365
C	TYR475
C	M16502
C	HOH601
C	HOH603

site_id	AE4
Number of Residues	7
Details	binding site for residue M16 C 502

Chain	Residue
C	VAL336
C	PHE353
C	TRP356
C	TYR357
C	GLU361
C	ARG365
C	HEM501

site_id	AE5
Number of Residues	8
Details	binding site for residue M16 C 503

Chain	Residue
C	VAL104
C	ALA446
C	TRP447
C	HOH601
C	HOH603
D	TRP74
D	TRP445
D	PHE460

site_id	AE6
Number of Residues	8
Details	binding site for residue BTB C 504

Chain	Residue
B	LEU326
B	ASP378
B	CYS382
C	TRP322
C	CYS382
C	ASP384
C	GD509
C	HOH638

site_id	AE7
Number of Residues	1
Details	binding site for residue BTB C 505

Chain	Residue
C	GLU298

site_id	AE8
Number of Residues	2
Details	binding site for residue BTB C 506

Chain	Residue
B	ASP384
C	GLU377

site_id	AE9
Number of Residues	4
Details	binding site for residue ZN C 507

Chain	Residue
C	CYS94
C	CYS99
D	CYS94
D	CYS99

site_id	AF1
Number of Residues	1
Details	binding site for residue GOL C 508

Chain	Residue
C	GLU167

site_id	AF2
Number of Residues	3
Details	binding site for residue GD C 509

Chain	Residue
C	BTB504
C	HOH638
C	HOH677

site_id	AF3
Number of Residues	4
Details	binding site for residue ZN C 510

Chain	Residue
C	ASP369
C	HOH668
C	HOH683
D	HIS461

site_id	AF4
Number of Residues	13
Details	binding site for residue HEM D 501

Chain	Residue
D	TRP178
D	ARG183
D	CYS184
D	SER226
D	PHE353
D	SER354
D	TRP356
D	GLU361
D	ARG365
D	TRP447
D	TYR475
D	M16502
D	HOH607

site_id	AF5
Number of Residues	7
Details	binding site for residue M16 D 502

Chain	Residue
D	VAL336
D	TRP356
D	TYR357
D	GLU361
D	ARG365
D	TYR475
D	HEM501

site_id	AF6
Number of Residues	5
Details	binding site for residue M16 D 503

Chain	Residue
C	PHE460
D	VAL104
D	ALA446
D	TRP447
D	HOH607

site_id	AF7
Number of Residues	6
Details	binding site for residue BTB D 504

Chain	Residue
D	GLU321
D	GD508
D	HOH609
D	HOH621
E	ASN374
E	ASP378

site_id	AF8
Number of Residues	2
Details	binding site for residue BTB D 505

Chain	Residue
D	GLU298
F	GLU167

site_id	AF9
Number of Residues	5
Details	binding site for residue BTB D 506

Chain	Residue
C	GLY237
C	ARG238
C	ASP297
D	ARG128
D	GLU154

site_id	AG1
Number of Residues	3
Details	binding site for residue GD D 507

Chain	Residue
D	HOH711
E	BTB503
E	HOH606

site_id	AG2
Number of Residues	5
Details	binding site for residue GD D 508

Chain	Residue
D	THR319
D	GLU321
D	BTB504
D	HOH609
D	HOH621

site_id	AG3
Number of Residues	4
Details	binding site for residue ZN D 509

Chain	Residue
C	HIS461
C	HOH687
D	ASP369
D	HOH734

site_id	AG4
Number of Residues	16
Details	binding site for residue HEM E 501

Chain	Residue
E	TRP178
E	ARG183
E	CYS184
E	SER226
E	PHE353
E	SER354
E	TRP356
E	GLU361
E	ARG365
E	TRP447
E	PHE473
E	TYR475
E	M16502
E	HOH616
E	HOH622
F	HOH901

site_id	AG5
Number of Residues	8
Details	binding site for residue M16 E 502

Chain	Residue
E	VAL336
E	TRP356
E	TYR357
E	GLU361
E	ARG365
E	TYR475
E	HEM501
F	M16801

site_id	AG6
Number of Residues	7
Details	binding site for residue BTB E 503

Chain	Residue
D	ALA325
D	LEU326
D	ASP378
D	GD507
E	TRP322
E	CYS382
E	ASP384

site_id	AG7
Number of Residues	3
Details	binding site for residue BTB E 504

Chain	Residue
B	ASP129
E	GLU298
E	HOH702

site_id	AG8
Number of Residues	3
Details	binding site for residue BTB E 505

Chain	Residue
D	ASP384
E	GLU377
E	ARG388

site_id	AG9
Number of Residues	4
Details	binding site for residue ZN E 506

Chain	Residue
E	CYS94
E	CYS99
F	CYS94
F	CYS99

site_id	AH1
Number of Residues	1
Details	binding site for residue GOL E 507

Chain	Residue
E	GLU167

site_id	AH2
Number of Residues	5
Details	binding site for residue ZN E 508

Chain	Residue
E	ARG365
E	ASP369
E	HOH715
E	HOH719
F	HIS461

site_id	AH3
Number of Residues	10
Details	binding site for residue M16 F 801

Chain	Residue
E	VAL104
E	PHE105
E	ALA446
E	TRP447
E	M16502
E	HOH622
F	TRP74
F	TRP445
F	PHE460
F	HOH901

site_id	AH4
Number of Residues	13
Details	binding site for residue HEM F 802

Chain	Residue
F	TRP178
F	ARG183
F	CYS184
F	SER226
F	PHE353
F	SER354
F	TRP356
F	GLU361
F	ARG365
F	TRP447
F	TYR475
F	M16803
F	HOH905

site_id	AH5
Number of Residues	8
Details	binding site for residue M16 F 803

Chain	Residue
F	VAL336
F	TRP356
F	TYR357
F	GLU361
F	ARG365
F	TRP447
F	TYR475
F	HEM802

site_id	AH6
Number of Residues	7
Details	binding site for residue M16 F 804

Chain	Residue
E	TRP445
E	PHE460
F	VAL104
F	ALA446
F	TRP447
F	HOH905
F	HOH912

site_id	AH7
Number of Residues	8
Details	binding site for residue BTB F 805

Chain	Residue
A	ASN374
A	GLU377
A	ASP378
A	HOH644
F	THR319
F	GLU321
F	GD807
F	HOH902

site_id	AH8
Number of Residues	4
Details	binding site for residue BTB F 806

Chain	Residue
C	GLU156
F	ASP297
F	GLU298
F	HOH1001

site_id	AH9
Number of Residues	4
Details	binding site for residue GD F 807

Chain	Residue
F	THR319
F	GLU321
F	BTB805
F	HOH902

site_id	AI1
Number of Residues	4
Details	binding site for residue ZN F 808

Chain	Residue
E	HIS461
E	HOH717
F	ASP369
F	HOH1065

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	12
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	60
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	6
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	6
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

site_id	MCSA3
Number of Residues	4
Details	M-CSA 935

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

site_id	MCSA4
Number of Residues	4
Details	M-CSA 935

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

site_id	MCSA5
Number of Residues	4
Details	M-CSA 935

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

site_id	MCSA6
Number of Residues	4
Details	M-CSA 935

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

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)