Structure of PDB 6auv Chain A

Receptor sequence

>6auvA (length=411) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSDVRTKDQLF
PLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGA
KHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNL
RSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEIC
IQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFK
DLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYN
ILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSAT
ESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFE
YQPDPWNTHVW

3D structure

• PDB: 6auv Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
• Chain: A
• Resolution: 1.76 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 C415 F584 W587 E592 W678 Y706	W104 C110 F279 W282 E287 W373 Y401
BS02	H4B	A	S334 R596 V677 W678	S36 R291 V372 W373
BS03	W79	A	Q478 R481 Y562 P565 F584 W587 E592 R603 W678	Q173 R176 Y257 P260 F279 W282 E287 R298 W373	MOAD: Ki=47nM BindingDB: Ki=47nM
BS04	ZN	A	C326 C331	C28 C33
BS05	H4B	A	F691 E694	F386 E389

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:6auv, PDBe:6auv, PDBj:6auv
• PDBsum: 6auv
• PubMed: 29091437
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)