Structure of PDB 5vuu Chain A

Receptor sequence

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

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSDVRTKDQLF
PLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGA
KHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNL
RSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEIC
IQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFK
DLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYN
ILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSAT
ESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFE
YQPDPWNTHVW

3D structure

• PDB: 5vuu Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
• Chain: A
• Resolution: 1.96 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C415 R418 W587 E592
• Catalytic site (residue number reindexed from 1): C110 R113 W282 E287
• 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	HEM	A	W409 A412 C415 F584 W587 W678 F704 Y706	W104 A107 C110 F279 W282 W373 F399 Y401
BS02	H4B	A	S334 M336 R596 V677 W678	S36 M38 R291 V372 W373
BS03	9OJ	A	V567 F584 W587 E592	V262 F279 W282 E287	MOAD: Ki=0.025uM BindingDB: Ki=25nM
BS04	ZN	A	C326 C331	C28 C33
BS05	H4B	A	F691 H692 Q693 E694	F386 H387 Q388 E389

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:5vuu, PDBe:5vuu, PDBj:5vuu
• PDBsum: 5vuu
• PubMed: 28776992
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)