Structure of PDB 3n62 Chain B

Receptor sequence

>3n62B (length=411) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPVRTKDQLFPL
AKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKH
AWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRS
AITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDL
GLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRNYCDNSRYNIL
EEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATES
FIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWKG

3D structure

• PDB: 3n62 Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
• Chain: B
• Resolution: 1.95 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C415 R418 W587 E592
• Catalytic site (residue number reindexed from 1): C108 R111 W280 E285
• Enzyme Commision number: 1.14.13.39: nitric-oxide synthase (NADPH).

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	B	C326 C331	C28 C33
BS02	H4B	B	S334 M336 V677 W678	S36 M38 V370 W371
BS03	H4B	B	W676 F691 H692 Q693	W369 F384 H385 Q386
BS04	XFJ	B	W306 F691 H692	W8 F384 H385	BindingDB: Ki=25nM
BS05	HEM	B	W409 C415 M570 F584 W587 E592 R596 W678 F704	W102 C108 M263 F277 W280 E285 R289 W371 F397
BS06	XFJ	B	M336 P565 V567 F584 W587 E592 R596	M38 P258 V260 F277 W280 E285 R289	BindingDB: Ki=25nM
BS07	XFJ	B	D600 V677 W678	D293 V370 W371	BindingDB: Ki=25nM
BS08	MTL	B	S477 A497 N498 F501 N569 D709	S170 A190 N191 F194 N262 D402

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:3n62, PDBe:3n62, PDBj:3n62
• PDBsum: 3n62
• PubMed: 21138269
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)