Structure of PDB 6png Chain A

Receptor sequence

>6pngA (length=412) Species: 9606 (Homo sapiens)

PRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPDVATKDQLF
PLAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDTELIYGA
KHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNL
RSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEIC
IQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFEWFK
DLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYN
ILEEVAKKMNLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSAT
ESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFE
YQPDPWNTHVWK

3D structure

• PDB: 6png First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
• Chain: A
• Resolution: 1.775 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C420 R423 W592 E597
• 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	W414 R419 C420 V421 F589 W592 E597 W683 F709 Y711	W104 R109 C110 V111 F279 W282 E287 W373 F399 Y401
BS02	OSG	A	V572 F589 W592 E597 W683	V262 F279 W282 E287 W373	MOAD: Ki=0.058uM BindingDB: Ki=58nM
BS03	OSG	A	W311 W681 F696	W9 W371 F386	MOAD: Ki=0.058uM BindingDB: Ki=58nM
BS04	OSG	A	M341 V682 W683	M39 V372 W373	MOAD: Ki=0.058uM BindingDB: Ki=58nM
BS05	ZN	A	C331 C336	C29 C34

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:6png, PDBe:6png, PDBj:6png
• PDBsum: 6png
• PubMed: 32302123
• UniProt: P29475|NOS1_HUMAN Nitric oxide synthase 1 (Gene Name=NOS1)