Structure of PDB 6ngz Chain B

Receptor sequence

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

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSQHTRVRTKD
QLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELI
YGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNK
GNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFT
EICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFD
WFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNS
RYNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHH
SATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTP
SFEYQPDPWNTHVWKG

3D structure

• PDB: 6ngz Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
• Chain: B
• Resolution: 2.0 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 Q693 E694	F389 H390 Q391 E392
BS02	HEM	B	W409 R414 C415 F584 W587 E592 W678 F704 Y706	W107 R112 C113 F282 W285 E290 W376 F402 Y404
BS03	H4B	B	S334 M336 R596 V677 W678	S36 M38 R294 V375 W376
BS04	KPJ	B	M336 P565 V567 M570 F584 S585 W587 E592	M38 P263 V265 M268 F282 S283 W285 E290	MOAD: Ki=13nM BindingDB: Ki=13nM

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

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