Structure of PDB 6nhe Chain B

Receptor sequence

>6nheB (length=416) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSQHTRVRTKD
QLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELI
YGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNK
GNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFT
EICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFD
WFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNS
RYNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHH
SATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTP
SFEYQPDPWNTHVWKG

3D structure

• PDB: 6nhe Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
• Chain: B
• Resolution: 1.999 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C415 R418 W587 E592
• Catalytic site (residue number reindexed from 1): C113 R116 W285 E290
• 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 E694	F389 H390 E392
BS02	ZN	B	C326 C331	C28 C33
BS03	HEM	B	H341 W409 A412 R414 C415 F584 W587 W678 F704 Y706	H43 W107 A110 R112 C113 F282 W285 W376 F402 Y404
BS04	H4B	B	S334 R596 V677 W678	S36 R294 V375 W376
BS05	KNS	B	P565 V567 M570 S585 W587 E592 Y706	P263 V265 M268 S283 W285 E290 Y404	MOAD: Ki=55nM BindingDB: Ki=55nM

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:6nhe, PDBe:6nhe, PDBj:6nhe
• PDBsum: 6nhe
• PubMed: 30802056
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)