Structure of PDB 5fvs Chain B

Receptor sequence

>5fvsB (length=411) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPVRTKDQLFPL
AKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKH
AWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRS
AITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDL
GLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNIL
EEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATES
FIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWKG

3D structure

• PDB: 5fvs Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
• Chain: B
• Resolution: 1.948 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	H4B	B	F691 H692 Q693 E694	F384 H385 Q386 E387
BS02	ZN	B	C326 C331	C28 C33
BS03	HEM	B	W409 C415 G417 F584 W587 E592 W678 F704 Y706	W102 C108 G110 F277 W280 E285 W371 F397 Y399
BS04	H4B	B	S334 R596 V677 W678	S36 R289 V370 W371
BS05	W66	B	Q478 R481 P565 W587 Y588 E592	Q171 R174 P258 W280 Y281 E285	MOAD: Ki=16nM BindingDB: Ki=16nM,IC50=142nM

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:5fvs, PDBe:5fvs, PDBj:5fvs
• PDBsum: 5fvs
• PubMed: 27050842
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)