Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6AV7

Structure of human endothelial nitric oxide synthase heme domain in complex with HW69

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

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	GLU361
A	TRP447
A	TYR475
A	H4B502
A	W69503
A	ALA181
A	CYS184
A	SER226
A	PHE353
A	SER354
A	GLY355
A	TRP356
A	MET358

site_id	AC2
Number of Residues	11
Details	binding site for residue H4B A 502

Chain	Residue
A	SER102
A	ARG365
A	ALA446
A	TRP447
A	HEM501
A	HOH628
B	TRP445
B	PHE460
B	HIS461
B	GLN462
B	GLU463

site_id	AC3
Number of Residues	9
Details	binding site for residue W69 A 503

Chain	Residue
A	PHE105
A	VAL336
A	MET339
A	PHE353
A	TRP356
A	TYR357
A	GLU361
A	TYR475
A	HEM501

site_id	AC4
Number of Residues	9
Details	binding site for residue BTB A 504

Chain	Residue
A	TRP322
A	VAL381
A	CYS382
A	ASP384
A	GD509
D	ALA325
D	LEU326
D	ASP378
D	CYS382

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

Chain	Residue
A	GLU377
A	THR387
A	ARG388
D	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	1
Details	binding site for residue GOL A 507

Chain	Residue
A	GLU167

site_id	AC8
Number of Residues	3
Details	binding site for residue CL A 508

Chain	Residue
A	GLN247
A	TYR357
A	ASN366

site_id	AC9
Number of Residues	1
Details	binding site for residue GD A 509

Chain	Residue
A	BTB504

site_id	AD1
Number of Residues	16
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	GLY355
B	TRP356
B	GLU361
B	TRP447
B	PHE473
B	TYR475
B	H4B502
B	W69503
B	HOH608

site_id	AD2
Number of Residues	10
Details	binding site for residue H4B B 502

Chain	Residue
A	TRP445
A	PHE460
B	SER102
B	ARG365
B	ALA446
B	TRP447
B	HEM501
B	HOH607
B	HOH654
B	HOH693

site_id	AD3
Number of Residues	10
Details	binding site for residue W69 B 503

Chain	Residue
B	VAL104
B	PHE105
B	VAL336
B	MET339
B	PHE353
B	TRP356
B	GLU361
B	TRP447
B	TYR475
B	HEM501

site_id	AD4
Number of Residues	8
Details	binding site for residue BTB B 504

Chain	Residue
C	ASP378
B	THR319
B	GLU321
B	GD507
B	HOH651
C	SER260
C	VAL261
C	ASN374

site_id	AD5
Number of Residues	3
Details	binding site for residue BTB B 505

Chain	Residue
B	ASP297
B	GLU298
D	GLU167

site_id	AD6
Number of Residues	5
Details	binding site for residue CL B 506

Chain	Residue
B	GLN247
B	TYR357
B	ASN366
B	HOH619
B	HOH663

site_id	AD7
Number of Residues	5
Details	binding site for residue GD B 507

Chain	Residue
B	THR319
B	GLU321
B	BTB504
B	HOH651
C	HOH608

site_id	AD8
Number of Residues	15
Details	binding site for residue HEM C 501

Chain	Residue
C	TRP178
C	ARG183
C	CYS184
C	SER226
C	PHE353
C	SER354
C	GLY355
C	TRP356
C	GLU361
C	TRP447
C	PHE473
C	TYR475
C	H4B502
C	W69503
C	HOH606

site_id	AD9
Number of Residues	10
Details	binding site for residue H4B C 502

Chain	Residue
C	SER102
C	ARG365
C	ALA446
C	TRP447
C	HEM501
C	HOH641
C	HOH649
D	PHE460
D	HIS461
D	GLU463

site_id	AE1
Number of Residues	9
Details	binding site for residue W69 C 503

Chain	Residue
C	VAL104
C	PHE105
C	VAL336
C	MET339
C	PHE353
C	TRP356
C	GLU361
C	TRP447
C	HEM501

site_id	AE2
Number of Residues	8
Details	binding site for residue BTB C 504

Chain	Residue
B	TRP322
B	ALA325
B	LEU326
C	VAL381
C	CYS382
C	ASP384
C	GD510
C	HOH650

site_id	AE3
Number of Residues	2
Details	binding site for residue BTB C 505

Chain	Residue
B	ASP384
C	GLU377

site_id	AE4
Number of Residues	1
Details	binding site for residue BTB C 506

Chain	Residue
C	GLU298

site_id	AE5
Number of Residues	4
Details	binding site for residue ZN C 507

Chain	Residue
C	CYS94
C	CYS99
D	CYS94
D	CYS99

site_id	AE6
Number of Residues	1
Details	binding site for residue GOL C 508

Chain	Residue
C	GLU167

site_id	AE7
Number of Residues	3
Details	binding site for residue CL C 509

Chain	Residue
C	GLN247
C	TYR357
C	ASN366

site_id	AE8
Number of Residues	3
Details	binding site for residue GD C 510

Chain	Residue
C	BTB504
C	HOH650
C	HOH671

site_id	AE9
Number of Residues	16
Details	binding site for residue HEM D 501

Chain	Residue
D	TRP178
D	ALA181
D	ARG183
D	CYS184
D	VAL185
D	SER226
D	PHE353
D	SER354
D	GLY355
D	TRP356
D	GLU361
D	TRP447
D	PHE473
D	TYR475
D	H4B502
D	W69503

site_id	AF1
Number of Residues	11
Details	binding site for residue H4B D 502

Chain	Residue
C	TRP445
C	PHE460
C	GLN462
D	SER102
D	ARG365
D	ALA446
D	TRP447
D	HEM501
D	HOH606
D	HOH673
D	HOH697

site_id	AF2
Number of Residues	11
Details	binding site for residue W69 D 503

Chain	Residue
D	VAL104
D	PHE105
D	VAL336
D	MET339
D	PHE353
D	GLY355
D	TRP356
D	TYR357
D	GLU361
D	TYR475
D	HEM501

site_id	AF3
Number of Residues	8
Details	binding site for residue BTB D 504

Chain	Residue
A	TYR373
A	ASN374
A	ASP378
A	HOH602
D	THR319
D	GLU321
D	GD506
D	HOH602

site_id	AF4
Number of Residues	2
Details	binding site for residue BTB D 505

Chain	Residue
D	ASP297
D	GLU298

site_id	AF5
Number of Residues	5
Details	binding site for residue GD D 506

Chain	Residue
A	HOH602
D	THR319
D	GLU321
D	BTB504
D	HOH602

site_id	AF6
Number of Residues	5
Details	binding site for residue CL D 507

Chain	Residue
D	GLN247
D	ARG250
D	TYR357
D	ASN366
D	HOH614

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	8
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
C	CYS94
C	CYS99
D	CYS94
D	CYS99

site_id	SWS_FT_FI2
Number of Residues	40
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
C	SER102
C	GLN247
C	TRP356
C	TYR357
C	GLU361
C	ASN366
C	ALA446
C	TRP447
C	PHE460
A	TRP356
C	TYR475
D	SER102
D	GLN247
D	TRP356
D	TYR357
D	GLU361
D	ASN366
D	ALA446
D	TRP447
D	PHE460
A	TYR357
D	TYR475
A	GLU361
A	ASN366
A	ALA446
A	TRP447
A	PHE460

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

Chain	Residue	Details
A	CYS184
B	CYS184
C	CYS184
D	CYS184

site_id	SWS_FT_FI4
Number of Residues	4
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
C	ARG365
D	ARG365

site_id	SWS_FT_FI5
Number of Residues	4
Details	MOD_RES: Phosphoserine; by CDK5 => ECO:0000269\|PubMed:20213743

Chain	Residue	Details
A	SER114
B	SER114
C	SER114
D	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

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

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